N-[(4S)-4-phenylcyclohexen-1-yl]formamide

C13H15NO — CID 86313094

IUPACN-[(4S)-4-phenylcyclohexen-1-yl]formamide
SMILESO=CNC1=CC[C@@H](c2ccccc2)CC1
InChIInChI=1S/C13H15NO/c15-10-14-13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-5,8,10,12H,6-7,9H2,(H,14,15)/t12-/m1/s1
InChIKeyPDCDNRRTCNPVES-GFCCVEGCSA-N
MW201.27 g/mol
LogP2.58
Rot. Bonds3

About N-[(4S)-4-phenylcyclohexen-1-yl]formamide

N-[(4S)-4-phenylcyclohexen-1-yl]formamide (PubChem CID 86313094) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is N-[(4S)-4-phenylcyclohexen-1-yl]formamide.

Molecular Properties

Compound NameN-[(4S)-4-phenylcyclohexen-1-yl]formamide
PubChem CID86313094
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC NameN-[(4S)-4-phenylcyclohexen-1-yl]formamide
SMILESO=CNC1=CC[C@@H](c2ccccc2)CC1
InChIInChI=1S/C13H15NO/c15-10-14-13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-5,8,10,12H,6-7,9H2,(H,14,15)/t12-/m1/s1
InChIKeyPDCDNRRTCNPVES-GFCCVEGCSA-N
XLogP2.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N'-[(4R)-4-phenylcyclohexen-1-yl]acetohydrazide
CID 2163318
2-methyl-N'-[(4R)-4-phenylcyclohexen-1-yl]furan-3-carbohydrazide
CID 2386188
N'-(4-phenylcyclohexen-1-yl)pyridine-3-carbohydrazide
CID 3462848
(4-phenylcyclohexen-1-yl)sulfanylbenzene
CID 10945388
(E)-4-(4-phenylcyclohexen-1-yl)but-3-enoic acid
CID 134850934
1-(2-methoxyethyl)-3-[[(4R)-4-phenylcyclohexen-1-yl]amino]thiourea
CID 2424796
[4-(3-methylbut-2-enyl)cyclohex-3-en-1-yl]benzene
CID 134966809
2-(3-bromophenoxy)-N'-[(4S)-4-phenylcyclohexen-1-yl]acetohydrazide
CID 2400029
benzene;cyclopropylbenzene
CID 144638417
3-[(4-phenylcyclohexen-1-yl)methyl]pentane-2,4-dione
CID 10563992
2-(4-methyl-2-propan-2-ylphenoxy)-N'-[(4S)-4-phenylcyclohexen-1-yl]acetohydrazide
CID 2391704
(4-phenylcyclohexen-1-yl) triphenylmethanesulfonate
CID 150220938

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-4-phenylcyclohexen-1-yl]formamide?
The IUPAC name of N-[(4S)-4-phenylcyclohexen-1-yl]formamide (CID 86313094) is N-[(4S)-4-phenylcyclohexen-1-yl]formamide.
What is the SMILES notation for N-[(4S)-4-phenylcyclohexen-1-yl]formamide?
The canonical SMILES for N-[(4S)-4-phenylcyclohexen-1-yl]formamide is O=CNC1=CC[C@@H](c2ccccc2)CC1.
What is the InChIKey of N-[(4S)-4-phenylcyclohexen-1-yl]formamide?
The InChIKey is PDCDNRRTCNPVES-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H15NO/c15-10-14-13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-5,8,10,12H,6-7,9H2,(H,14,15)/t12-/m1/s1.
What are the key properties of N-[(4S)-4-phenylcyclohexen-1-yl]formamide?
N-[(4S)-4-phenylcyclohexen-1-yl]formamide has a molecular weight of 201.27 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-4-phenylcyclohexen-1-yl]formamide is sourced from PubChem (CID 86313094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).