N-[4-cyclopropyloxy-2-(2-formyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)pent-1-en-3-yl]formamide

C17H26N2O3 — CID 167481124

IUPACN-[4-cyclopropyloxy-2-(2-formyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)pent-1-en-3-yl]formamide
SMILESC=C(C(NC=O)C(C)OC1CC1)N1CC2C(C1C=O)C2(C)C
InChIInChI=1S/C17H26N2O3/c1-10(16(18-9-21)11(2)22-12-5-6-12)19-7-13-15(14(19)8-20)17(13,3)4/h8-9,11-16H,1,5-7H2,2-4H3,(H,18,21)
InChIKeyWGAYDRFDPGXVKO-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.34
Rot. Bonds8

About N-[4-cyclopropyloxy-2-(2-formyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)pent-1-en-3-yl]formamide

N-[4-cyclopropyloxy-2-(2-formyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)pent-1-en-3-yl]formamide (PubChem CID 167481124) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[4-cyclopropyloxy-2-(2-formyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)pent-1-en-3-yl]formamide.

Molecular Properties

Compound NameN-[4-cyclopropyloxy-2-(2-formyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)pent-1-en-3-yl]formamide
PubChem CID167481124
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC NameN-[4-cyclopropyloxy-2-(2-formyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)pent-1-en-3-yl]formamide
SMILESC=C(C(NC=O)C(C)OC1CC1)N1CC2C(C1C=O)C2(C)C
InChIInChI=1S/C17H26N2O3/c1-10(16(18-9-21)11(2)22-12-5-6-12)19-7-13-15(14(19)8-20)17(13,3)4/h8-9,11-16H,1,5-7H2,2-4H3,(H,18,21)
InChIKeyWGAYDRFDPGXVKO-UHFFFAOYSA-N
XLogP1.34
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

butane;N-[4-cyclopropyloxy-2-(2-formyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)pent-1-en-3-yl]formamide;ethane;2-methyl-3-(2-oxopiperidin-3-yl)propanenitrile;1,1,1-trifluoroethane
CID 167481123
(1S,2S,5R)-3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane-2-carbaldehyde
CID 146214552
(2S,5S)-3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane-2-carbaldehyde
CID 146214640
(1R,2S,5S)-3-[(2S,3R)-2-amino-3-cyclobutyloxybutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid
CID 167481641
(3R)-1-[(1R,2R,5S)-2-ethenyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3-(1-methylcyclopropyl)oxybutan-1-one
CID 167521349
N-[(2S)-1-[(1R,2S,5S)-2-formyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide
CID 167203306
(3R)-3-cyclopropyloxy-2-(methylamino)butanal
CID 167482371
tert-butyl N-[(2S)-1-[(1R,2R)-2-ethenyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CID 167203412
(1R,2S,5S)-3-[(2S)-2-acetamido-2-cyclopropylacetyl]-6,6-dimethyl-N-[(2S)-1-oxopropan-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 170200795
(1R,2S,5S)-N-[(1S)-1-cyano-2-[(6R)-5-oxo-4-azaspiro[2.4]heptan-6-yl]ethyl]-3-[(2S,3R)-3-(3,3-difluorocyclobutyl)oxy-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 167481302
methyl 3-[[(1R,2S,5S)-3-(2-cyclohexylacetyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]-4-cyclopropyl-2-oxobutanoate
CID 58909046
methyl (2S)-6,6-dimethyl-3-[(2S)-2,3,3-trimethylbutanoyl]-3-azabicyclo[3.1.0]hexane-2-carboxylate
CID 58262941

Frequently Asked Questions

What is the IUPAC name of N-[4-cyclopropyloxy-2-(2-formyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)pent-1-en-3-yl]formamide?
The IUPAC name of N-[4-cyclopropyloxy-2-(2-formyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)pent-1-en-3-yl]formamide (CID 167481124) is N-[4-cyclopropyloxy-2-(2-formyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)pent-1-en-3-yl]formamide.
What is the SMILES notation for N-[4-cyclopropyloxy-2-(2-formyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)pent-1-en-3-yl]formamide?
The canonical SMILES for N-[4-cyclopropyloxy-2-(2-formyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)pent-1-en-3-yl]formamide is C=C(C(NC=O)C(C)OC1CC1)N1CC2C(C1C=O)C2(C)C.
What is the InChIKey of N-[4-cyclopropyloxy-2-(2-formyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)pent-1-en-3-yl]formamide?
The InChIKey is WGAYDRFDPGXVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-10(16(18-9-21)11(2)22-12-5-6-12)19-7-13-15(14(19)8-20)17(13,3)4/h8-9,11-16H,1,5-7H2,2-4H3,(H,18,21).
What are the key properties of N-[4-cyclopropyloxy-2-(2-formyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)pent-1-en-3-yl]formamide?
N-[4-cyclopropyloxy-2-(2-formyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)pent-1-en-3-yl]formamide has a molecular weight of 306.41 g/mol, XLogP of 1.34, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyclopropyloxy-2-(2-formyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)pent-1-en-3-yl]formamide is sourced from PubChem (CID 167481124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).