(3R)-3-(prop-1-en-2-ylamino)butanenitrile

C7H12N2 — CID 177367987

IUPAC(3R)-3-(prop-1-en-2-ylamino)butanenitrile
SMILESC=C(C)N[C@H](C)CC#N
InChIInChI=1S/C7H12N2/c1-6(2)9-7(3)4-5-8/h7,9H,1,4H2,2-3H3/t7-/m1/s1
InChIKeyBCDFJCZCCVDQGY-SSDOTTSWSA-N
MW124.19 g/mol
LogP1.41
Rot. Bonds3

About (3R)-3-(prop-1-en-2-ylamino)butanenitrile

(3R)-3-(prop-1-en-2-ylamino)butanenitrile (PubChem CID 177367987) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is (3R)-3-(prop-1-en-2-ylamino)butanenitrile.

Molecular Properties

Compound Name(3R)-3-(prop-1-en-2-ylamino)butanenitrile
PubChem CID177367987
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name(3R)-3-(prop-1-en-2-ylamino)butanenitrile
SMILESC=C(C)N[C@H](C)CC#N
InChIInChI=1S/C7H12N2/c1-6(2)9-7(3)4-5-8/h7,9H,1,4H2,2-3H3/t7-/m1/s1
InChIKeyBCDFJCZCCVDQGY-SSDOTTSWSA-N
XLogP1.41
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Propenenitrile, 2-(propanenitrile-2-yl)amino-
CID 571641
2-(1-Cyanovinylamino)succinonitrile
CID 571644
2-(Prop-1-en-2-ylamino)acetonitrile
CID 55299414
(E)-3-(propan-2-ylamino)but-2-enenitrile
CID 55299610
(2S)-N-prop-1-en-2-ylbutan-2-amine
CID 89013129
3-(Prop-1-en-2-ylamino)pentanenitrile
CID 130215438
(Z)-3,4-bis(methylamino)but-3-enenitrile
CID 153574754
5-Methyl-1,2,3,4-tetrahydropyrazine-2-carbonitrile
CID 155005618
3-(2-Aminoprop-1-enylamino)-2-methylpropanenitrile
CID 173439152
(E)-3-(propylamino)but-2-enenitrile
CID 12319937
(Z)-3-(propylamino)but-2-enenitrile
CID 12319938
3-(Prop-2-enylamino)butanenitrile
CID 14093034

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(prop-1-en-2-ylamino)butanenitrile?
The IUPAC name of (3R)-3-(prop-1-en-2-ylamino)butanenitrile (CID 177367987) is (3R)-3-(prop-1-en-2-ylamino)butanenitrile.
What is the SMILES notation for (3R)-3-(prop-1-en-2-ylamino)butanenitrile?
The canonical SMILES for (3R)-3-(prop-1-en-2-ylamino)butanenitrile is C=C(C)N[C@H](C)CC#N.
What is the InChIKey of (3R)-3-(prop-1-en-2-ylamino)butanenitrile?
The InChIKey is BCDFJCZCCVDQGY-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H12N2/c1-6(2)9-7(3)4-5-8/h7,9H,1,4H2,2-3H3/t7-/m1/s1.
What are the key properties of (3R)-3-(prop-1-en-2-ylamino)butanenitrile?
(3R)-3-(prop-1-en-2-ylamino)butanenitrile has a molecular weight of 124.19 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(prop-1-en-2-ylamino)butanenitrile is sourced from PubChem (CID 177367987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).