N-[2-[(1S)-4-methylcyclohex-3-en-1-yl]propan-2-yl]formamide

C11H19NO — CID 164666523

IUPACN-[2-[(1S)-4-methylcyclohex-3-en-1-yl]propan-2-yl]formamide
SMILESCC1=CC[C@@H](C(C)(C)NC=O)CC1
InChIInChI=1S/C11H19NO/c1-9-4-6-10(7-5-9)11(2,3)12-8-13/h4,8,10H,5-7H2,1-3H3,(H,12,13)/t10-/m1/s1
InChIKeyVDVYQWXHTAPRGD-SNVBAGLBSA-N
MW181.28 g/mol
LogP2.26
Rot. Bonds3

About N-[2-[(1S)-4-methylcyclohex-3-en-1-yl]propan-2-yl]formamide

N-[2-[(1S)-4-methylcyclohex-3-en-1-yl]propan-2-yl]formamide (PubChem CID 164666523) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N-[2-[(1S)-4-methylcyclohex-3-en-1-yl]propan-2-yl]formamide.

Molecular Properties

Compound NameN-[2-[(1S)-4-methylcyclohex-3-en-1-yl]propan-2-yl]formamide
PubChem CID164666523
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN-[2-[(1S)-4-methylcyclohex-3-en-1-yl]propan-2-yl]formamide
SMILESCC1=CC[C@@H](C(C)(C)NC=O)CC1
InChIInChI=1S/C11H19NO/c1-9-4-6-10(7-5-9)11(2,3)12-8-13/h4,8,10H,5-7H2,1-3H3,(H,12,13)/t10-/m1/s1
InChIKeyVDVYQWXHTAPRGD-SNVBAGLBSA-N
XLogP2.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.26
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

rel-N-((2R,5S,8S,8aS)-1,2,3,5,6,7,8,8a-Octahydro-2,5-dimethyl-8-(1-methylethyl)-2-naphthalenyl)formamide
CID 10422187
Acetamide, N-[1-methyl-1-(4-methylcyclohex-3-enyl)ethyl]-
CID 379926
Theonellin formamide
CID 5387261
N-[(2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-yl]formamide
CID 25104904
N-[1-methyl-4-(6-methylhepta-2,4-dien-2-yl)cyclohexyl]formamide
CID 360237
N-[2-[(2S,4aR,8S)-4a,8-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl]propan-2-yl]formamide
CID 12049725
Amitorine B
CID 132520039
N-[(3R,5R,10S)-3,10-dimethyl-7-propan-2-ylspiro[4.5]dec-6-en-3-yl]formamide
CID 16092087
N-[(3S,5S,10S)-3,10-dimethyl-7-propan-2-ylspiro[4.5]dec-6-en-3-yl]formamide
CID 162892253
N-[(3R,5R,10R)-3,10-dimethyl-7-propan-2-ylspiro[4.5]dec-6-en-3-yl]formamide
CID 14336923
N-[2-[(1S)-4-methylcyclohex-3-en-1-yl]propan-2-yl]acetamide
CID 92153842
N-(4-tert-butylcyclohexen-1-yl)formamide
CID 57208366

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1S)-4-methylcyclohex-3-en-1-yl]propan-2-yl]formamide?
The IUPAC name of N-[2-[(1S)-4-methylcyclohex-3-en-1-yl]propan-2-yl]formamide (CID 164666523) is N-[2-[(1S)-4-methylcyclohex-3-en-1-yl]propan-2-yl]formamide.
What is the SMILES notation for N-[2-[(1S)-4-methylcyclohex-3-en-1-yl]propan-2-yl]formamide?
The canonical SMILES for N-[2-[(1S)-4-methylcyclohex-3-en-1-yl]propan-2-yl]formamide is CC1=CC[C@@H](C(C)(C)NC=O)CC1.
What is the InChIKey of N-[2-[(1S)-4-methylcyclohex-3-en-1-yl]propan-2-yl]formamide?
The InChIKey is VDVYQWXHTAPRGD-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H19NO/c1-9-4-6-10(7-5-9)11(2,3)12-8-13/h4,8,10H,5-7H2,1-3H3,(H,12,13)/t10-/m1/s1.
What are the key properties of N-[2-[(1S)-4-methylcyclohex-3-en-1-yl]propan-2-yl]formamide?
N-[2-[(1S)-4-methylcyclohex-3-en-1-yl]propan-2-yl]formamide has a molecular weight of 181.28 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1S)-4-methylcyclohex-3-en-1-yl]propan-2-yl]formamide is sourced from PubChem (CID 164666523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).