2-[1-(but-3-enoxymethyl)cyclopropyl]acetonitrile

C10H15NO — CID 65494897

IUPAC2-[1-(but-3-enoxymethyl)cyclopropyl]acetonitrile
SMILESC=CCCOCC1(CC#N)CC1
InChIInChI=1S/C10H15NO/c1-2-3-8-12-9-10(4-5-10)6-7-11/h2H,1,3-6,8-9H2
InChIKeyWJBDFADBUCYWIZ-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.27
Rot. Bonds6

About 2-[1-(but-3-enoxymethyl)cyclopropyl]acetonitrile

2-[1-(but-3-enoxymethyl)cyclopropyl]acetonitrile (PubChem CID 65494897) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 2-[1-(but-3-enoxymethyl)cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-(but-3-enoxymethyl)cyclopropyl]acetonitrile
PubChem CID65494897
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name2-[1-(but-3-enoxymethyl)cyclopropyl]acetonitrile
SMILESC=CCCOCC1(CC#N)CC1
InChIInChI=1S/C10H15NO/c1-2-3-8-12-9-10(4-5-10)6-7-11/h2H,1,3-6,8-9H2
InChIKeyWJBDFADBUCYWIZ-UHFFFAOYSA-N
XLogP2.27
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(but-3-enoxymethyl)cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-(but-3-enoxymethyl)cyclopropyl]acetonitrile (CID 65494897) is 2-[1-(but-3-enoxymethyl)cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-(but-3-enoxymethyl)cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-(but-3-enoxymethyl)cyclopropyl]acetonitrile is C=CCCOCC1(CC#N)CC1.
What is the InChIKey of 2-[1-(but-3-enoxymethyl)cyclopropyl]acetonitrile?
The InChIKey is WJBDFADBUCYWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-2-3-8-12-9-10(4-5-10)6-7-11/h2H,1,3-6,8-9H2.
What are the key properties of 2-[1-(but-3-enoxymethyl)cyclopropyl]acetonitrile?
2-[1-(but-3-enoxymethyl)cyclopropyl]acetonitrile has a molecular weight of 165.24 g/mol, XLogP of 2.27, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(but-3-enoxymethyl)cyclopropyl]acetonitrile is sourced from PubChem (CID 65494897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).