1-(furan-2-ylmethyl)cyclopentane-1-carbonitrile

C11H13NO — CID 65379312

IUPAC1-(furan-2-ylmethyl)cyclopentane-1-carbonitrile
SMILESN#CC1(Cc2ccco2)CCCC1
InChIInChI=1S/C11H13NO/c12-9-11(5-1-2-6-11)8-10-4-3-7-13-10/h3-4,7H,1-2,5-6,8H2
InChIKeyGREKWFDBGCRLDY-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.91
Rot. Bonds2

About 1-(furan-2-ylmethyl)cyclopentane-1-carbonitrile

1-(furan-2-ylmethyl)cyclopentane-1-carbonitrile (PubChem CID 65379312) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)cyclopentane-1-carbonitrile
PubChem CID65379312
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name1-(furan-2-ylmethyl)cyclopentane-1-carbonitrile
SMILESN#CC1(Cc2ccco2)CCCC1
InChIInChI=1S/C11H13NO/c12-9-11(5-1-2-6-11)8-10-4-3-7-13-10/h3-4,7H,1-2,5-6,8H2
InChIKeyGREKWFDBGCRLDY-UHFFFAOYSA-N
XLogP2.91
TPSA36.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(furan-2-ylmethyl)-1,1-dioxothiolane-3-carbonitrile
CID 115337707
2-[[1-(chloromethyl)cyclopropyl]methyl]furan
CID 66033762
1-[(2-chloro-6-fluorophenyl)methyl]cyclopentane-1-carbonitrile
CID 65377639
2-(furan-2-ylmethyl)thiolane-2-carbaldehyde
CID 131026682
1-(naphthalen-1-ylmethyl)cyclooctane-1-carbonitrile
CID 80610057
1-[(4-chlorophenyl)methyl]cyclohexane-1-carbonitrile
CID 65377832
1-cyano-N-[1-(furan-2-yl)propan-2-yl]cyclohexane-1-carboxamide
CID 61461953
5-(furan-2-ylmethyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 83173134
1-cyano-N-[2-(furan-2-yl)ethyl]cyclobutane-1-carboxamide
CID 78994732
1-[(2,3-difluorophenyl)methyl]cycloheptane-1-carbonitrile
CID 65390903
1-[(3-fluorophenyl)methyl]cyclohexane-1-carbonitrile
CID 65379302
1-cyano-N-[4-(furan-2-yl)butan-2-yl]cyclopentane-1-carboxamide
CID 60717527

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)cyclopentane-1-carbonitrile?
The IUPAC name of 1-(furan-2-ylmethyl)cyclopentane-1-carbonitrile (CID 65379312) is 1-(furan-2-ylmethyl)cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(furan-2-ylmethyl)cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(furan-2-ylmethyl)cyclopentane-1-carbonitrile is N#CC1(Cc2ccco2)CCCC1.
What is the InChIKey of 1-(furan-2-ylmethyl)cyclopentane-1-carbonitrile?
The InChIKey is GREKWFDBGCRLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c12-9-11(5-1-2-6-11)8-10-4-3-7-13-10/h3-4,7H,1-2,5-6,8H2.
What are the key properties of 1-(furan-2-ylmethyl)cyclopentane-1-carbonitrile?
1-(furan-2-ylmethyl)cyclopentane-1-carbonitrile has a molecular weight of 175.23 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)cyclopentane-1-carbonitrile is sourced from PubChem (CID 65379312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).