1-cyano-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide

C10H14N2O2 — CID 80598955

IUPAC1-cyano-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide
SMILESN#CC1(C(=O)NCC2CCCO2)CC1
InChIInChI=1S/C10H14N2O2/c11-7-10(3-4-10)9(13)12-6-8-2-1-5-14-8/h8H,1-6H2,(H,12,13)
InChIKeyLSSLMQXBQRHPNU-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.59
Rot. Bonds3

About 1-cyano-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide

1-cyano-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide (PubChem CID 80598955) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1-cyano-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide
PubChem CID80598955
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name1-cyano-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide
SMILESN#CC1(C(=O)NCC2CCCO2)CC1
InChIInChI=1S/C10H14N2O2/c11-7-10(3-4-10)9(13)12-6-8-2-1-5-14-8/h8H,1-6H2,(H,12,13)
InChIKeyLSSLMQXBQRHPNU-UHFFFAOYSA-N
XLogP0.59
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyano-N-[4-[[(2R)-oxolan-2-yl]methylcarbamoylamino]phenyl]cyclopentane-1-carboxamide
CID 31813987
1-cyano-N-[4-[[(2S)-oxolan-2-yl]methylcarbamoylamino]phenyl]cyclopentane-1-carboxamide
CID 31813984
1-amino-N-(oxolan-2-ylmethyl)cyclopentane-1-carboxamide
CID 60867408
1-cyano-3-methyl-N-[2-(oxolan-2-yl)ethyl]cyclobutane-1-carboxamide
CID 80501458
[(2S)-oxolan-2-yl]methylcarbamic acid
CID 69040354
N-[[(2R)-oxolan-2-yl]methyl]adamantane-1-carboxamide
CID 7079712
1-cyano-N-[[(2S)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]cyclopropane-1-carboxamide
CID 97449229
1-cyano-N-(cyclohexylmethyl)cyclohexane-1-carboxamide
CID 61459262
N-[[(2R)-oxolan-2-yl]methyl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 7437120
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-4-cyanooxane-4-carboxamide
CID 78953320
1-cyano-N-ethyl-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide
CID 80598016
2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 110696563

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-cyano-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide (CID 80598955) is 1-cyano-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide is N#CC1(C(=O)NCC2CCCO2)CC1.
What is the InChIKey of 1-cyano-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide?
The InChIKey is LSSLMQXBQRHPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c11-7-10(3-4-10)9(13)12-6-8-2-1-5-14-8/h8H,1-6H2,(H,12,13).
What are the key properties of 1-cyano-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide?
1-cyano-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide has a molecular weight of 194.23 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 80598955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).