2-[cyclopropyl(hydroxy)methyl]pentanenitrile

C9H15NO — CID 79412769

IUPAC2-[cyclopropyl(hydroxy)methyl]pentanenitrile
SMILESCCCC(C#N)C(O)C1CC1
InChIInChI=1S/C9H15NO/c1-2-3-8(6-10)9(11)7-4-5-7/h7-9,11H,2-5H2,1H3
InChIKeyOHHMCZZEWDSAPD-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.70
Rot. Bonds4

About 2-[cyclopropyl(hydroxy)methyl]pentanenitrile

2-[cyclopropyl(hydroxy)methyl]pentanenitrile (PubChem CID 79412769) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 2-[cyclopropyl(hydroxy)methyl]pentanenitrile.

Molecular Properties

Compound Name2-[cyclopropyl(hydroxy)methyl]pentanenitrile
PubChem CID79412769
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name2-[cyclopropyl(hydroxy)methyl]pentanenitrile
SMILESCCCC(C#N)C(O)C1CC1
InChIInChI=1S/C9H15NO/c1-2-3-8(6-10)9(11)7-4-5-7/h7-9,11H,2-5H2,1H3
InChIKeyOHHMCZZEWDSAPD-UHFFFAOYSA-N
XLogP1.70
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(hydroxy)methyl]pentanenitrile?
The IUPAC name of 2-[cyclopropyl(hydroxy)methyl]pentanenitrile (CID 79412769) is 2-[cyclopropyl(hydroxy)methyl]pentanenitrile.
What is the SMILES notation for 2-[cyclopropyl(hydroxy)methyl]pentanenitrile?
The canonical SMILES for 2-[cyclopropyl(hydroxy)methyl]pentanenitrile is CCCC(C#N)C(O)C1CC1.
What is the InChIKey of 2-[cyclopropyl(hydroxy)methyl]pentanenitrile?
The InChIKey is OHHMCZZEWDSAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-2-3-8(6-10)9(11)7-4-5-7/h7-9,11H,2-5H2,1H3.
What are the key properties of 2-[cyclopropyl(hydroxy)methyl]pentanenitrile?
2-[cyclopropyl(hydroxy)methyl]pentanenitrile has a molecular weight of 153.22 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(hydroxy)methyl]pentanenitrile is sourced from PubChem (CID 79412769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).