(1R,6S)-N-(2-methylphenyl)bicyclo[4.1.0]heptane-7-carboxamide

C15H19NO — CID 796671

IUPAC(1R,6S)-N-(2-methylphenyl)bicyclo[4.1.0]heptane-7-carboxamide
SMILESCc1ccccc1NC(=O)C1[C@H]2CCCC[C@@H]12
InChIInChI=1S/C15H19NO/c1-10-6-2-5-9-13(10)16-15(17)14-11-7-3-4-8-12(11)14/h2,5-6,9,11-12,14H,3-4,7-8H2,1H3,(H,16,17)/t11-,12+,14?
InChIKeyKDKAQQOPQDYKCS-ONXXMXGDSA-N
MW229.32 g/mol
LogP3.37
Rot. Bonds2

About (1R,6S)-N-(2-methylphenyl)bicyclo[4.1.0]heptane-7-carboxamide

(1R,6S)-N-(2-methylphenyl)bicyclo[4.1.0]heptane-7-carboxamide (PubChem CID 796671) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is (1R,6S)-N-(2-methylphenyl)bicyclo[4.1.0]heptane-7-carboxamide.

Molecular Properties

Compound Name(1R,6S)-N-(2-methylphenyl)bicyclo[4.1.0]heptane-7-carboxamide
PubChem CID796671
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name(1R,6S)-N-(2-methylphenyl)bicyclo[4.1.0]heptane-7-carboxamide
SMILESCc1ccccc1NC(=O)C1[C@H]2CCCC[C@@H]12
InChIInChI=1S/C15H19NO/c1-10-6-2-5-9-13(10)16-15(17)14-11-7-3-4-8-12(11)14/h2,5-6,9,11-12,14H,3-4,7-8H2,1H3,(H,16,17)/t11-,12+,14?
InChIKeyKDKAQQOPQDYKCS-ONXXMXGDSA-N
XLogP3.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-bromophenyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 79260937
(1S,6R)-N-[3-[[(1R,6S)-bicyclo[4.1.0]heptane-7-carbonyl]amino]-4-methylphenyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 1113205
(1S,6S)-N-[3-[[(1S,6R)-bicyclo[4.1.0]heptane-7-carbonyl]amino]-4-methylphenyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 98092900
(1R,6R)-N-[5-[[(1R,6R)-bicyclo[4.1.0]heptane-7-carbonyl]amino]naphthalen-1-yl]bicyclo[4.1.0]heptane-7-carboxamide
CID 99646705
N-[2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylphenyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 107800886
N-(2-cyano-3-methylphenyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 114003196
(1R,2S,4R,5S)-N-(2-methylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 685768
(1S,2R,3R,4S)-3-[(2-methylphenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 124581479
1-N-cyclohexyl-4-N-(2-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109146141
(1S,2R,3R,4R)-3-[(2-methylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 11896564
2-N-cyclopentyl-1-N-(2-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109132069
2-amino-N-(2-methylphenyl)cyclopentane-1-carboxamide
CID 64818336

Frequently Asked Questions

What is the IUPAC name of (1R,6S)-N-(2-methylphenyl)bicyclo[4.1.0]heptane-7-carboxamide?
The IUPAC name of (1R,6S)-N-(2-methylphenyl)bicyclo[4.1.0]heptane-7-carboxamide (CID 796671) is (1R,6S)-N-(2-methylphenyl)bicyclo[4.1.0]heptane-7-carboxamide.
What is the SMILES notation for (1R,6S)-N-(2-methylphenyl)bicyclo[4.1.0]heptane-7-carboxamide?
The canonical SMILES for (1R,6S)-N-(2-methylphenyl)bicyclo[4.1.0]heptane-7-carboxamide is Cc1ccccc1NC(=O)C1[C@H]2CCCC[C@@H]12.
What is the InChIKey of (1R,6S)-N-(2-methylphenyl)bicyclo[4.1.0]heptane-7-carboxamide?
The InChIKey is KDKAQQOPQDYKCS-ONXXMXGDSA-N. The full InChI is InChI=1S/C15H19NO/c1-10-6-2-5-9-13(10)16-15(17)14-11-7-3-4-8-12(11)14/h2,5-6,9,11-12,14H,3-4,7-8H2,1H3,(H,16,17)/t11-,12+,14?.
What are the key properties of (1R,6S)-N-(2-methylphenyl)bicyclo[4.1.0]heptane-7-carboxamide?
(1R,6S)-N-(2-methylphenyl)bicyclo[4.1.0]heptane-7-carboxamide has a molecular weight of 229.32 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S)-N-(2-methylphenyl)bicyclo[4.1.0]heptane-7-carboxamide is sourced from PubChem (CID 796671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).