(Z)-2-(cyclopropylamino)-4-methylpent-2-enenitrile

C9H14N2 — CID 90151233

IUPAC(Z)-2-(cyclopropylamino)-4-methylpent-2-enenitrile
SMILESCC(C)/C=C(/C#N)NC1CC1
InChIInChI=1S/C9H14N2/c1-7(2)5-9(6-10)11-8-3-4-8/h5,7-8,11H,3-4H2,1-2H3/b9-5-
InChIKeyRBLVDXKGVRANFD-UITAMQMPSA-N
MW150.22 g/mol
LogP1.80
Rot. Bonds3

About (Z)-2-(cyclopropylamino)-4-methylpent-2-enenitrile

(Z)-2-(cyclopropylamino)-4-methylpent-2-enenitrile (PubChem CID 90151233) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is (Z)-2-(cyclopropylamino)-4-methylpent-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-(cyclopropylamino)-4-methylpent-2-enenitrile
PubChem CID90151233
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name(Z)-2-(cyclopropylamino)-4-methylpent-2-enenitrile
SMILESCC(C)/C=C(/C#N)NC1CC1
InChIInChI=1S/C9H14N2/c1-7(2)5-9(6-10)11-8-3-4-8/h5,7-8,11H,3-4H2,1-2H3/b9-5-
InChIKeyRBLVDXKGVRANFD-UITAMQMPSA-N
XLogP1.80
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.80
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

(Z)-N-cyclopropyl-4-methyl-2-propan-2-ylsulfanylpent-2-enamide
CID 129039558
(Z)-2-cyano-N-cyclopentyl-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 7258087
2-methyl-N-[4-(2-methylpropanoylamino)cyclohexyl]propanamide
CID 5083762
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate
CID 7537668
1-(1-cyanopropan-2-yl)-3-cyclopropylurea
CID 62699301
N-(4-cyanocyclohexyl)-5-methylhexanamide
CID 116817048
2-[1-cyanoethyl(methyl)amino]-N-cyclopropylacetamide
CID 60670090
4-(1-cyanoethyl)-N-cyclopropylpiperazine-1-carboxamide
CID 55218893
(2S)-N-cyclopropyl-2-sulfanylpropanamide
CID 87518275
2-cyano-N-[4-(cyclopropylamino)-4-oxobutyl]-3-methylbutanamide
CID 79400785
2-[1-(4-cyanophenyl)ethylamino]-N-cyclopropylpropanamide
CID 54936564
(Z)-2-cyano-N-cyclopentyl-3-(4-propan-2-ylanilino)prop-2-enamide
CID 108835409

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(cyclopropylamino)-4-methylpent-2-enenitrile?
The IUPAC name of (Z)-2-(cyclopropylamino)-4-methylpent-2-enenitrile (CID 90151233) is (Z)-2-(cyclopropylamino)-4-methylpent-2-enenitrile.
What is the SMILES notation for (Z)-2-(cyclopropylamino)-4-methylpent-2-enenitrile?
The canonical SMILES for (Z)-2-(cyclopropylamino)-4-methylpent-2-enenitrile is CC(C)/C=C(/C#N)NC1CC1.
What is the InChIKey of (Z)-2-(cyclopropylamino)-4-methylpent-2-enenitrile?
The InChIKey is RBLVDXKGVRANFD-UITAMQMPSA-N. The full InChI is InChI=1S/C9H14N2/c1-7(2)5-9(6-10)11-8-3-4-8/h5,7-8,11H,3-4H2,1-2H3/b9-5-.
What are the key properties of (Z)-2-(cyclopropylamino)-4-methylpent-2-enenitrile?
(Z)-2-(cyclopropylamino)-4-methylpent-2-enenitrile has a molecular weight of 150.22 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(cyclopropylamino)-4-methylpent-2-enenitrile is sourced from PubChem (CID 90151233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).