N-[1-(3a-methyl-7-methylidene-2,3,4,5,6,7a-hexahydro-1H-inden-1-yl)-2-methylprop-1-enyl]formamide

C16H25NO — CID 14658015

IUPACN-[1-(3a-methyl-7-methylidene-2,3,4,5,6,7a-hexahydro-1H-inden-1-yl)-2-methylprop-1-enyl]formamide
SMILESC=C1CCCC2(C)CCC(C(NC=O)=C(C)C)C12
InChIInChI=1S/C16H25NO/c1-11(2)15(17-10-18)13-7-9-16(4)8-5-6-12(3)14(13)16/h10,13-14H,3,5-9H2,1-2,4H3,(H,17,18)
InChIKeyVNVRTDPAIPTZEL-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.80
Rot. Bonds3

About N-[1-(3a-methyl-7-methylidene-2,3,4,5,6,7a-hexahydro-1H-inden-1-yl)-2-methylprop-1-enyl]formamide

N-[1-(3a-methyl-7-methylidene-2,3,4,5,6,7a-hexahydro-1H-inden-1-yl)-2-methylprop-1-enyl]formamide (PubChem CID 14658015) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[1-(3a-methyl-7-methylidene-2,3,4,5,6,7a-hexahydro-1H-inden-1-yl)-2-methylprop-1-enyl]formamide.

Molecular Properties

Compound NameN-[1-(3a-methyl-7-methylidene-2,3,4,5,6,7a-hexahydro-1H-inden-1-yl)-2-methylprop-1-enyl]formamide
PubChem CID14658015
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[1-(3a-methyl-7-methylidene-2,3,4,5,6,7a-hexahydro-1H-inden-1-yl)-2-methylprop-1-enyl]formamide
SMILESC=C1CCCC2(C)CCC(C(NC=O)=C(C)C)C12
InChIInChI=1S/C16H25NO/c1-11(2)15(17-10-18)13-7-9-16(4)8-5-6-12(3)14(13)16/h10,13-14H,3,5-9H2,1-2,4H3,(H,17,18)
InChIKeyVNVRTDPAIPTZEL-UHFFFAOYSA-N
XLogP3.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

7a-methyl-4-methylidene-3-(2-methylpropyl)-2,3,3a,5,6,7-hexahydro-1H-indene
CID 71365257
[(1S)-1-[(1S,3aS,7aS)-3a-methyl-7-methylidene-2,3,4,5,6,7a-hexahydro-1H-inden-1-yl]-2-oxopropyl] acetate
CID 10563588
(2R,4aS,8aR)-4a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-ol
CID 163193268
(1R,2R,4aS,8aS)-4a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-ol
CID 163013781
[2-(2-hydroxypropan-2-yl)-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-yl] acetate
CID 162931108
(3aR,5aR,9aS,9bS)-5a-methyl-3,9-dimethylidene-3a,4,5,6,7,8,9a,9b-octahydro-1H-cyclopenta[a]naphthalen-2-one
CID 163188348
(3aS,5aS,9aR,9bR)-5a-methyl-3,9-dimethylidene-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-2-one
CID 25136690
[(1S,2S,4aS,8aS)-4a-methyl-8-methylidene-2-propan-2-yl-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-yl]-methylazanide
CID 163138727
(4aR,4bS,5R,8S,8aS,10aR)-8,10a-dimethyl-4-methylidene-5-propan-2-yl-2,3,4a,4b,5,6,7,8,9,10-decahydro-1H-phenanthren-8a-ol
CID 132520355
2-[(2R,4aS,8aR)-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-en-1-ol
CID 162929374
(2S)-2-[(2R,4aR,8aS)-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]propanoic acid
CID 162892275
(3aR,7aR)-3-[(1R)-1-isothiocyanato-2-methylpropyl]-7a-methyl-4-methylidene-2,3,3a,5,6,7-hexahydro-1H-indene
CID 22832192

Frequently Asked Questions

What is the IUPAC name of N-[1-(3a-methyl-7-methylidene-2,3,4,5,6,7a-hexahydro-1H-inden-1-yl)-2-methylprop-1-enyl]formamide?
The IUPAC name of N-[1-(3a-methyl-7-methylidene-2,3,4,5,6,7a-hexahydro-1H-inden-1-yl)-2-methylprop-1-enyl]formamide (CID 14658015) is N-[1-(3a-methyl-7-methylidene-2,3,4,5,6,7a-hexahydro-1H-inden-1-yl)-2-methylprop-1-enyl]formamide.
What is the SMILES notation for N-[1-(3a-methyl-7-methylidene-2,3,4,5,6,7a-hexahydro-1H-inden-1-yl)-2-methylprop-1-enyl]formamide?
The canonical SMILES for N-[1-(3a-methyl-7-methylidene-2,3,4,5,6,7a-hexahydro-1H-inden-1-yl)-2-methylprop-1-enyl]formamide is C=C1CCCC2(C)CCC(C(NC=O)=C(C)C)C12.
What is the InChIKey of N-[1-(3a-methyl-7-methylidene-2,3,4,5,6,7a-hexahydro-1H-inden-1-yl)-2-methylprop-1-enyl]formamide?
The InChIKey is VNVRTDPAIPTZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-11(2)15(17-10-18)13-7-9-16(4)8-5-6-12(3)14(13)16/h10,13-14H,3,5-9H2,1-2,4H3,(H,17,18).
What are the key properties of N-[1-(3a-methyl-7-methylidene-2,3,4,5,6,7a-hexahydro-1H-inden-1-yl)-2-methylprop-1-enyl]formamide?
N-[1-(3a-methyl-7-methylidene-2,3,4,5,6,7a-hexahydro-1H-inden-1-yl)-2-methylprop-1-enyl]formamide has a molecular weight of 247.38 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3a-methyl-7-methylidene-2,3,4,5,6,7a-hexahydro-1H-inden-1-yl)-2-methylprop-1-enyl]formamide is sourced from PubChem (CID 14658015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).