1-(3-hydroxypropyl)cyclopropane-1-carbonitrile

C7H11NO — CID 130514511

IUPAC1-(3-hydroxypropyl)cyclopropane-1-carbonitrile
SMILESN#CC1(CCCO)CC1
InChIInChI=1S/C7H11NO/c8-6-7(3-4-7)2-1-5-9/h9H,1-5H2
InChIKeySLOUVJPTBBNONF-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.06
Rot. Bonds3

About 1-(3-hydroxypropyl)cyclopropane-1-carbonitrile

1-(3-hydroxypropyl)cyclopropane-1-carbonitrile (PubChem CID 130514511) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(3-hydroxypropyl)cyclopropane-1-carbonitrile
PubChem CID130514511
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name1-(3-hydroxypropyl)cyclopropane-1-carbonitrile
SMILESN#CC1(CCCO)CC1
InChIInChI=1S/C7H11NO/c8-6-7(3-4-7)2-1-5-9/h9H,1-5H2
InChIKeySLOUVJPTBBNONF-UHFFFAOYSA-N
XLogP1.06
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)cyclopropane-1-carbonitrile?
The IUPAC name of 1-(3-hydroxypropyl)cyclopropane-1-carbonitrile (CID 130514511) is 1-(3-hydroxypropyl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(3-hydroxypropyl)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-(3-hydroxypropyl)cyclopropane-1-carbonitrile is N#CC1(CCCO)CC1.
What is the InChIKey of 1-(3-hydroxypropyl)cyclopropane-1-carbonitrile?
The InChIKey is SLOUVJPTBBNONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c8-6-7(3-4-7)2-1-5-9/h9H,1-5H2.
What are the key properties of 1-(3-hydroxypropyl)cyclopropane-1-carbonitrile?
1-(3-hydroxypropyl)cyclopropane-1-carbonitrile has a molecular weight of 125.17 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 130514511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).