(E)-5-butoxypent-3-enenitrile

C9H15NO — CID 19376961

IUPAC(E)-5-butoxypent-3-enenitrile
SMILESCCCCOC/C=C/CC#N
InChIInChI=1S/C9H15NO/c1-2-3-8-11-9-6-4-5-7-10/h4,6H,2-3,5,8-9H2,1H3/b6-4+
InChIKeyZWNSYCSXCSYPSK-GQCTYLIASA-N
MW153.22 g/mol
LogP2.27
Rot. Bonds6

About (E)-5-butoxypent-3-enenitrile

(E)-5-butoxypent-3-enenitrile (PubChem CID 19376961) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (E)-5-butoxypent-3-enenitrile.

Molecular Properties

Compound Name(E)-5-butoxypent-3-enenitrile
PubChem CID19376961
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(E)-5-butoxypent-3-enenitrile
SMILESCCCCOC/C=C/CC#N
InChIInChI=1S/C9H15NO/c1-2-3-8-11-9-6-4-5-7-10/h4,6H,2-3,5,8-9H2,1H3/b6-4+
InChIKeyZWNSYCSXCSYPSK-GQCTYLIASA-N
XLogP2.27
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
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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Related Compounds

(Z)-1-butoxy-4-chlorobut-2-ene
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1-but-2-enoxybutane
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3-[(E)-tridec-2-enoxy]propanenitrile
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(E)-4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]but-2-ene-1-thiol
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4-(2-butoxyethoxy)but-2-en-1-amine
CID 77110139
(Z)-pentadec-3-enenitrile
CID 139591512
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2-(2-butoxyethoxy)acetonitrile
CID 29001467
3-butoxy-N-ethylprop-1-en-1-amine
CID 150350485
(Z)-4-dodecoxybut-2-en-1-ol
CID 6912104
1-[(E)-but-2-enoxy]hexadecane
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CID 123608986

Frequently Asked Questions

What is the IUPAC name of (E)-5-butoxypent-3-enenitrile?
The IUPAC name of (E)-5-butoxypent-3-enenitrile (CID 19376961) is (E)-5-butoxypent-3-enenitrile.
What is the SMILES notation for (E)-5-butoxypent-3-enenitrile?
The canonical SMILES for (E)-5-butoxypent-3-enenitrile is CCCCOC/C=C/CC#N.
What is the InChIKey of (E)-5-butoxypent-3-enenitrile?
The InChIKey is ZWNSYCSXCSYPSK-GQCTYLIASA-N. The full InChI is InChI=1S/C9H15NO/c1-2-3-8-11-9-6-4-5-7-10/h4,6H,2-3,5,8-9H2,1H3/b6-4+.
What are the key properties of (E)-5-butoxypent-3-enenitrile?
(E)-5-butoxypent-3-enenitrile has a molecular weight of 153.22 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 (E)-5-butoxypent-3-enenitrile is sourced from PubChem (CID 19376961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).