N-deuterio-1-phenylcyclopropane-1-carboxamide

C10H11NO — CID 175986247

IUPACN-deuterio-1-phenylcyclopropane-1-carboxamide
SMILES[2H]NC(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C10H11NO/c11-9(12)10(6-7-10)8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,11,12)/i/hD
InChIKeyGCBXAQLZTBLSGE-DYCDLGHISA-N
MW162.21 g/mol
LogP1.20
Rot. Bonds2

About N-deuterio-1-phenylcyclopropane-1-carboxamide

N-deuterio-1-phenylcyclopropane-1-carboxamide (PubChem CID 175986247) has the molecular formula C10H11NO and a molecular weight of 162.21 g/mol. Its IUPAC name is N-deuterio-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-deuterio-1-phenylcyclopropane-1-carboxamide
PubChem CID175986247
Molecular FormulaC10H11NO
Molecular Weight162.21 g/mol
Exact Mass162.09
IUPAC NameN-deuterio-1-phenylcyclopropane-1-carboxamide
SMILES[2H]NC(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C10H11NO/c11-9(12)10(6-7-10)8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,11,12)/i/hD
InChIKeyGCBXAQLZTBLSGE-DYCDLGHISA-N
XLogP1.20
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-phenylcyclopropane-1-carboxamide;hydrochloride
CID 57461944
1-phenylcyclopentane-1-carboxamide;dihydrochloride
CID 142770378
4-carbamoyl-4-phenylcyclohexane-1-carboxylic acid
CID 115046067
1-(4-phenoxyphenyl)cyclopropane-1-carboxamide
CID 174895931
N-methyl-1-phenylcyclopropane-1-carbohydrazide
CID 116846008
2-(1-phenylcyclopropanecarbonyl)propanedinitrile
CID 79168773
2-(4-carbamoyl-4-phenylcyclohexyl)acetic acid
CID 115048821
cyclopentyl-(1-phenylcyclopropyl)methanone
CID 63080026
3,3-difluoro-1-phenylcyclopentane-1-carboxylic acid
CID 105483674
(2-chlorophenyl)-(1-phenylcyclopropyl)methanone
CID 63080543
1-(4-aminophenyl)cyclopropane-1-carboxylic acid;hydrochloride
CID 155970614
N'-hydroxy-1-phenylcyclopropane-1-carboximidamide
CID 59395631

Frequently Asked Questions

What is the IUPAC name of N-deuterio-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-deuterio-1-phenylcyclopropane-1-carboxamide (CID 175986247) is N-deuterio-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-deuterio-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-deuterio-1-phenylcyclopropane-1-carboxamide is [2H]NC(=O)C1(c2ccccc2)CC1.
What is the InChIKey of N-deuterio-1-phenylcyclopropane-1-carboxamide?
The InChIKey is GCBXAQLZTBLSGE-DYCDLGHISA-N. The full InChI is InChI=1S/C10H11NO/c11-9(12)10(6-7-10)8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,11,12)/i/hD.
What are the key properties of N-deuterio-1-phenylcyclopropane-1-carboxamide?
N-deuterio-1-phenylcyclopropane-1-carboxamide has a molecular weight of 162.21 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-deuterio-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 175986247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).