1-[(4-methylphenyl)methyl]cyclopropane-1-carboxamide

C12H15NO — CID 123851701

IUPAC1-[(4-methylphenyl)methyl]cyclopropane-1-carboxamide
SMILESCc1ccc(CC2(C(N)=O)CC2)cc1
InChIInChI=1S/C12H15NO/c1-9-2-4-10(5-3-9)8-12(6-7-12)11(13)14/h2-5H,6-8H2,1H3,(H2,13,14)
InChIKeyMHABFNVRXXOOTG-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.80
Rot. Bonds3

About 1-[(4-methylphenyl)methyl]cyclopropane-1-carboxamide

1-[(4-methylphenyl)methyl]cyclopropane-1-carboxamide (PubChem CID 123851701) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]cyclopropane-1-carboxamide
PubChem CID123851701
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name1-[(4-methylphenyl)methyl]cyclopropane-1-carboxamide
SMILESCc1ccc(CC2(C(N)=O)CC2)cc1
InChIInChI=1S/C12H15NO/c1-9-2-4-10(5-3-9)8-12(6-7-12)11(13)14/h2-5H,6-8H2,1H3,(H2,13,14)
InChIKeyMHABFNVRXXOOTG-UHFFFAOYSA-N
XLogP1.80
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 97357080
1-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 69475295
4-hydroxy-1-[(4-methylphenyl)methyl]cyclohexane-1-carboxylic acid
CID 112745348
2-[(4-methylphenyl)methyl]-1,3-dihydroindene-2-carboxylic acid
CID 65406805
2-[1-[(4-methylphenyl)methyl]cyclopropyl]acetic acid
CID 22978374
2-[4-hydroxy-4-[(4-methylphenyl)methyl]piperidin-1-yl]acetamide
CID 142637723
1-[(6-methylnaphthalen-2-yl)methyl]cyclopropane-1-carboxylic acid
CID 116928817
1-(2-methoxybenzoyl)-4-[(4-phenylphenyl)methyl]piperidine-4-carboxamide
CID 155982891
(3R)-3-[[4-(4-methylphenyl)phenyl]methyl]-1-(pyridine-2-carbonyl)piperidine-3-carboxamide
CID 92558246
3-[[4-(4-methylphenyl)phenyl]methyl]-1-(1H-1,2,4-triazole-5-carbonyl)piperidine-3-carboxamide
CID 110232533
1-[(4-methylphenyl)sulfanylmethyl]cyclohexane-1-carboxamide
CID 141389454
ethyl 1-[[4-(2-hydroxyethyl)phenyl]methyl]cyclopropane-1-carboxylate
CID 142527026

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-[(4-methylphenyl)methyl]cyclopropane-1-carboxamide (CID 123851701) is 1-[(4-methylphenyl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-[(4-methylphenyl)methyl]cyclopropane-1-carboxamide is Cc1ccc(CC2(C(N)=O)CC2)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]cyclopropane-1-carboxamide?
The InChIKey is MHABFNVRXXOOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-9-2-4-10(5-3-9)8-12(6-7-12)11(13)14/h2-5H,6-8H2,1H3,(H2,13,14).
What are the key properties of 1-[(4-methylphenyl)methyl]cyclopropane-1-carboxamide?
1-[(4-methylphenyl)methyl]cyclopropane-1-carboxamide has a molecular weight of 189.26 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 123851701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).