(E)-3-(1-hydroxycyclopentyl)prop-2-enenitrile

C8H11NO — CID 58221014

IUPAC(E)-3-(1-hydroxycyclopentyl)prop-2-enenitrile
SMILESN#C/C=C/C1(O)CCCC1
InChIInChI=1S/C8H11NO/c9-7-3-6-8(10)4-1-2-5-8/h3,6,10H,1-2,4-5H2/b6-3+
InChIKeyLZQRNCJKNXNAES-ZZXKWVIFSA-N
MW137.18 g/mol
LogP1.37
Rot. Bonds1

About (E)-3-(1-hydroxycyclopentyl)prop-2-enenitrile

(E)-3-(1-hydroxycyclopentyl)prop-2-enenitrile (PubChem CID 58221014) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is (E)-3-(1-hydroxycyclopentyl)prop-2-enenitrile.

Molecular Properties

Compound Name(E)-3-(1-hydroxycyclopentyl)prop-2-enenitrile
PubChem CID58221014
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name(E)-3-(1-hydroxycyclopentyl)prop-2-enenitrile
SMILESN#C/C=C/C1(O)CCCC1
InChIInChI=1S/C8H11NO/c9-7-3-6-8(10)4-1-2-5-8/h3,6,10H,1-2,4-5H2/b6-3+
InChIKeyLZQRNCJKNXNAES-ZZXKWVIFSA-N
XLogP1.37
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

3-(1-Hydroxycyclopentyl)prop-2-enenitrile
CID 68361288
3-(1-Hydroxycyclopentyl)prop-2-enenitrile;trimethylsilane
CID 157245131
2-(1-Hydroxycyclopent-2-en-1-yl)acetonitrile
CID 10558647
(E)-3-(1-hydroxycyclohexyl)prop-2-enenitrile
CID 11171079

Frequently Asked Questions

What is the IUPAC name of (E)-3-(1-hydroxycyclopentyl)prop-2-enenitrile?
The IUPAC name of (E)-3-(1-hydroxycyclopentyl)prop-2-enenitrile (CID 58221014) is (E)-3-(1-hydroxycyclopentyl)prop-2-enenitrile.
What is the SMILES notation for (E)-3-(1-hydroxycyclopentyl)prop-2-enenitrile?
The canonical SMILES for (E)-3-(1-hydroxycyclopentyl)prop-2-enenitrile is N#C/C=C/C1(O)CCCC1.
What is the InChIKey of (E)-3-(1-hydroxycyclopentyl)prop-2-enenitrile?
The InChIKey is LZQRNCJKNXNAES-ZZXKWVIFSA-N. The full InChI is InChI=1S/C8H11NO/c9-7-3-6-8(10)4-1-2-5-8/h3,6,10H,1-2,4-5H2/b6-3+.
What are the key properties of (E)-3-(1-hydroxycyclopentyl)prop-2-enenitrile?
(E)-3-(1-hydroxycyclopentyl)prop-2-enenitrile has a molecular weight of 137.18 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1-hydroxycyclopentyl)prop-2-enenitrile is sourced from PubChem (CID 58221014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).