1-propan-2-yloxycyclopentane-1-carbonitrile

C9H15NO — CID 131208750

IUPAC1-propan-2-yloxycyclopentane-1-carbonitrile
SMILESCC(C)OC1(C#N)CCCC1
InChIInChI=1S/C9H15NO/c1-8(2)11-9(7-10)5-3-4-6-9/h8H,3-6H2,1-2H3
InChIKeyUMGASCFRBCSZHK-UHFFFAOYSA-N
MW153.22 g/mol
LogP2.25
Rot. Bonds2

About 1-propan-2-yloxycyclopentane-1-carbonitrile

1-propan-2-yloxycyclopentane-1-carbonitrile (PubChem CID 131208750) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 1-propan-2-yloxycyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-propan-2-yloxycyclopentane-1-carbonitrile
PubChem CID131208750
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name1-propan-2-yloxycyclopentane-1-carbonitrile
SMILESCC(C)OC1(C#N)CCCC1
InChIInChI=1S/C9H15NO/c1-8(2)11-9(7-10)5-3-4-6-9/h8H,3-6H2,1-2H3
InChIKeyUMGASCFRBCSZHK-UHFFFAOYSA-N
XLogP2.25
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yloxycyclopentane-1-carbonitrile?
The IUPAC name of 1-propan-2-yloxycyclopentane-1-carbonitrile (CID 131208750) is 1-propan-2-yloxycyclopentane-1-carbonitrile.
What is the SMILES notation for 1-propan-2-yloxycyclopentane-1-carbonitrile?
The canonical SMILES for 1-propan-2-yloxycyclopentane-1-carbonitrile is CC(C)OC1(C#N)CCCC1.
What is the InChIKey of 1-propan-2-yloxycyclopentane-1-carbonitrile?
The InChIKey is UMGASCFRBCSZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-8(2)11-9(7-10)5-3-4-6-9/h8H,3-6H2,1-2H3.
What are the key properties of 1-propan-2-yloxycyclopentane-1-carbonitrile?
1-propan-2-yloxycyclopentane-1-carbonitrile has a molecular weight of 153.22 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yloxycyclopentane-1-carbonitrile is sourced from PubChem (CID 131208750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).