(Z)-3-methoxy-1-(2-methylpyrrolidin-1-yl)-2-propan-2-yl-5-prop-2-enoxypent-3-en-1-one

C17H29NO3 — CID 170069040

IUPAC(Z)-3-methoxy-1-(2-methylpyrrolidin-1-yl)-2-propan-2-yl-5-prop-2-enoxypent-3-en-1-one
SMILESC=CCOC/C=C(\OC)C(C(=O)N1CCCC1C)C(C)C
InChIInChI=1S/C17H29NO3/c1-6-11-21-12-9-15(20-5)16(13(2)3)17(19)18-10-7-8-14(18)4/h6,9,13-14,16H,1,7-8,10-12H2,2-5H3/b15-9-
InChIKeyCVEIPRZNCMFSMA-DHDCSXOGSA-N
MW295.42 g/mol
LogP3.00
Rot. Bonds8

About (Z)-3-methoxy-1-(2-methylpyrrolidin-1-yl)-2-propan-2-yl-5-prop-2-enoxypent-3-en-1-one

(Z)-3-methoxy-1-(2-methylpyrrolidin-1-yl)-2-propan-2-yl-5-prop-2-enoxypent-3-en-1-one (PubChem CID 170069040) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is (Z)-3-methoxy-1-(2-methylpyrrolidin-1-yl)-2-propan-2-yl-5-prop-2-enoxypent-3-en-1-one.

Molecular Properties

Compound Name(Z)-3-methoxy-1-(2-methylpyrrolidin-1-yl)-2-propan-2-yl-5-prop-2-enoxypent-3-en-1-one
PubChem CID170069040
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name(Z)-3-methoxy-1-(2-methylpyrrolidin-1-yl)-2-propan-2-yl-5-prop-2-enoxypent-3-en-1-one
SMILESC=CCOC/C=C(\OC)C(C(=O)N1CCCC1C)C(C)C
InChIInChI=1S/C17H29NO3/c1-6-11-21-12-9-15(20-5)16(13(2)3)17(19)18-10-7-8-14(18)4/h6,9,13-14,16H,1,7-8,10-12H2,2-5H3/b15-9-
InChIKeyCVEIPRZNCMFSMA-DHDCSXOGSA-N
XLogP3.00
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl N-[(2S)-1-[(2R)-2-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 145019420
2-methyl-1-(2-methylpyrrolidin-1-yl)-3-pent-4-enoxypropan-1-one
CID 143960585
(2S)-2,3-dimethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one
CID 142133713
2-[ethenyl(methyl)amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)butan-1-one
CID 170955387
2-methoxy-1-(2-methylazetidin-1-yl)propan-1-one
CID 130709295
(2S,3S)-2,3-dimethyl-1-[(2R)-2-methylpyrrolidin-1-yl]pentan-1-one
CID 58185317
methyl N-[1-(2-ethenylpyrrolidin-1-yl)-1-oxopropan-2-yl]carbamate
CID 123841575
2-ethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one
CID 110728155
[(2R)-1-[(2S)-2-methylpyrrolidin-1-yl]-1-oxopropan-2-yl] carbamate
CID 175179046
methyl N-[1-cyclopentyl-2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 68574299
3,3-dimethyl-2-(methylamino)-1-(2-methylpyrrolidin-1-yl)butan-1-one
CID 21057232
(2Z,5R)-5-methyl-3-[(2R)-2-methylpyrrolidin-1-yl]hepta-2,6-dienoic acid
CID 11948207

Frequently Asked Questions

What is the IUPAC name of (Z)-3-methoxy-1-(2-methylpyrrolidin-1-yl)-2-propan-2-yl-5-prop-2-enoxypent-3-en-1-one?
The IUPAC name of (Z)-3-methoxy-1-(2-methylpyrrolidin-1-yl)-2-propan-2-yl-5-prop-2-enoxypent-3-en-1-one (CID 170069040) is (Z)-3-methoxy-1-(2-methylpyrrolidin-1-yl)-2-propan-2-yl-5-prop-2-enoxypent-3-en-1-one.
What is the SMILES notation for (Z)-3-methoxy-1-(2-methylpyrrolidin-1-yl)-2-propan-2-yl-5-prop-2-enoxypent-3-en-1-one?
The canonical SMILES for (Z)-3-methoxy-1-(2-methylpyrrolidin-1-yl)-2-propan-2-yl-5-prop-2-enoxypent-3-en-1-one is C=CCOC/C=C(\OC)C(C(=O)N1CCCC1C)C(C)C.
What is the InChIKey of (Z)-3-methoxy-1-(2-methylpyrrolidin-1-yl)-2-propan-2-yl-5-prop-2-enoxypent-3-en-1-one?
The InChIKey is CVEIPRZNCMFSMA-DHDCSXOGSA-N. The full InChI is InChI=1S/C17H29NO3/c1-6-11-21-12-9-15(20-5)16(13(2)3)17(19)18-10-7-8-14(18)4/h6,9,13-14,16H,1,7-8,10-12H2,2-5H3/b15-9-.
What are the key properties of (Z)-3-methoxy-1-(2-methylpyrrolidin-1-yl)-2-propan-2-yl-5-prop-2-enoxypent-3-en-1-one?
(Z)-3-methoxy-1-(2-methylpyrrolidin-1-yl)-2-propan-2-yl-5-prop-2-enoxypent-3-en-1-one has a molecular weight of 295.42 g/mol, XLogP of 3.00, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methoxy-1-(2-methylpyrrolidin-1-yl)-2-propan-2-yl-5-prop-2-enoxypent-3-en-1-one is sourced from PubChem (CID 170069040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).