cis-(1S,2R)-2-(cyclohex-3-en-1-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid

C15H23NO3 — CID 114092192

IUPACcis-(1S,2R)-2-(cyclohex-3-en-1-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)[C@H]1CCCC[C@H]1C(=O)NCC1CC=CCC1
InChIInChI=1S/C15H23NO3/c17-14(16-10-11-6-2-1-3-7-11)12-8-4-5-9-13(12)15(18)19/h1-2,11-13H,3-10H2,(H,16,17)(H,18,19)/t11?,12-,13+/m1/s1
InChIKeyNAWIJBQOJVPPAL-HDYSRYHKSA-N
MW265.35 g/mol
LogP2.35
Rot. Bonds4

About cis-(1S,2R)-2-(cyclohex-3-en-1-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid

cis-(1S,2R)-2-(cyclohex-3-en-1-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid (PubChem CID 114092192) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is cis-(1S,2R)-2-(cyclohex-3-en-1-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-2-(cyclohex-3-en-1-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
PubChem CID114092192
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Namecis-(1S,2R)-2-(cyclohex-3-en-1-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)[C@H]1CCCC[C@H]1C(=O)NCC1CC=CCC1
InChIInChI=1S/C15H23NO3/c17-14(16-10-11-6-2-1-3-7-11)12-8-4-5-9-13(12)15(18)19/h1-2,11-13H,3-10H2,(H,16,17)(H,18,19)/t11?,12-,13+/m1/s1
InChIKeyNAWIJBQOJVPPAL-HDYSRYHKSA-N
XLogP2.35
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cis-(1R,2S)-2-(cyclohexylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 40637638
2-[(3-hydroxycyclobutyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 66004477
2-(cyclohex-3-en-1-ylmethylamino)cyclobutane-1-carboxylic acid
CID 103245487
2-[(3-hydroxycyclobutyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978906
2-(oxolan-3-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 54933491
N-(cyclohex-3-en-1-ylmethyl)-3,3-difluorocyclobutane-1-carboxamide
CID 126790248
(3R)-N-(cyclohex-3-en-1-ylmethyl)piperidine-3-carboxamide
CID 81140775
N-(cyclohex-3-en-1-ylmethyl)-2,2-difluoroacetamide
CID 103515679
N-(cyclohex-3-en-1-ylmethyl)-2,2,2-trifluoroacetamide
CID 54046672
2-(oxolan-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103978063
N-(cyclohex-3-en-1-ylmethyl)-1-cyclohexylmethanamine
CID 43215811
methyl 2-(cyclohex-3-en-1-ylmethylamino)-2-oxoacetate
CID 112617086

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-(cyclohex-3-en-1-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid?
The IUPAC name of cis-(1S,2R)-2-(cyclohex-3-en-1-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid (CID 114092192) is cis-(1S,2R)-2-(cyclohex-3-en-1-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2R)-2-(cyclohex-3-en-1-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2R)-2-(cyclohex-3-en-1-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid is O=C(O)[C@H]1CCCC[C@H]1C(=O)NCC1CC=CCC1.
What is the InChIKey of cis-(1S,2R)-2-(cyclohex-3-en-1-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid?
The InChIKey is NAWIJBQOJVPPAL-HDYSRYHKSA-N. The full InChI is InChI=1S/C15H23NO3/c17-14(16-10-11-6-2-1-3-7-11)12-8-4-5-9-13(12)15(18)19/h1-2,11-13H,3-10H2,(H,16,17)(H,18,19)/t11?,12-,13+/m1/s1.
What are the key properties of cis-(1S,2R)-2-(cyclohex-3-en-1-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid?
cis-(1S,2R)-2-(cyclohex-3-en-1-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid has a molecular weight of 265.35 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-(cyclohex-3-en-1-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 114092192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).