2-[4-(ethylamino)cyclohexa-2,4-dien-1-yl]acetonitrile

C10H14N2 — CID 70336718

IUPAC2-[4-(ethylamino)cyclohexa-2,4-dien-1-yl]acetonitrile
SMILESCCNC1=CCC(CC#N)C=C1
InChIInChI=1S/C10H14N2/c1-2-12-10-5-3-9(4-6-10)7-8-11/h3,5-6,9,12H,2,4,7H2,1H3
InChIKeyISNFWJVXNCWVTR-UHFFFAOYSA-N
MW162.24 g/mol
LogP1.97
Rot. Bonds3

About 2-[4-(ethylamino)cyclohexa-2,4-dien-1-yl]acetonitrile

2-[4-(ethylamino)cyclohexa-2,4-dien-1-yl]acetonitrile (PubChem CID 70336718) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 2-[4-(ethylamino)cyclohexa-2,4-dien-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[4-(ethylamino)cyclohexa-2,4-dien-1-yl]acetonitrile
PubChem CID70336718
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name2-[4-(ethylamino)cyclohexa-2,4-dien-1-yl]acetonitrile
SMILESCCNC1=CCC(CC#N)C=C1
InChIInChI=1S/C10H14N2/c1-2-12-10-5-3-9(4-6-10)7-8-11/h3,5-6,9,12H,2,4,7H2,1H3
InChIKeyISNFWJVXNCWVTR-UHFFFAOYSA-N
XLogP1.97
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(ethylamino)cyclohexa-2,4-dien-1-yl]acetonitrile?
The IUPAC name of 2-[4-(ethylamino)cyclohexa-2,4-dien-1-yl]acetonitrile (CID 70336718) is 2-[4-(ethylamino)cyclohexa-2,4-dien-1-yl]acetonitrile.
What is the SMILES notation for 2-[4-(ethylamino)cyclohexa-2,4-dien-1-yl]acetonitrile?
The canonical SMILES for 2-[4-(ethylamino)cyclohexa-2,4-dien-1-yl]acetonitrile is CCNC1=CCC(CC#N)C=C1.
What is the InChIKey of 2-[4-(ethylamino)cyclohexa-2,4-dien-1-yl]acetonitrile?
The InChIKey is ISNFWJVXNCWVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-2-12-10-5-3-9(4-6-10)7-8-11/h3,5-6,9,12H,2,4,7H2,1H3.
What are the key properties of 2-[4-(ethylamino)cyclohexa-2,4-dien-1-yl]acetonitrile?
2-[4-(ethylamino)cyclohexa-2,4-dien-1-yl]acetonitrile has a molecular weight of 162.24 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(ethylamino)cyclohexa-2,4-dien-1-yl]acetonitrile is sourced from PubChem (CID 70336718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).