(1R)-4-ethenyl-6-(methylamino)cyclohexa-2,4-diene-1-carbonitrile

C10H12N2 — CID 139524544

IUPAC(1R)-4-ethenyl-6-(methylamino)cyclohexa-2,4-diene-1-carbonitrile
SMILESC=CC1=CC(NC)[C@H](C#N)C=C1
InChIInChI=1S/C10H12N2/c1-3-8-4-5-9(7-11)10(6-8)12-2/h3-6,9-10,12H,1H2,2H3/t9-,10?/m0/s1
InChIKeyQJGFMZKSQDAUAM-RGURZIINSA-N
MW160.22 g/mol
LogP1.40
Rot. Bonds2

About (1R)-4-ethenyl-6-(methylamino)cyclohexa-2,4-diene-1-carbonitrile

(1R)-4-ethenyl-6-(methylamino)cyclohexa-2,4-diene-1-carbonitrile (PubChem CID 139524544) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is (1R)-4-ethenyl-6-(methylamino)cyclohexa-2,4-diene-1-carbonitrile.

Molecular Properties

Compound Name(1R)-4-ethenyl-6-(methylamino)cyclohexa-2,4-diene-1-carbonitrile
PubChem CID139524544
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name(1R)-4-ethenyl-6-(methylamino)cyclohexa-2,4-diene-1-carbonitrile
SMILESC=CC1=CC(NC)[C@H](C#N)C=C1
InChIInChI=1S/C10H12N2/c1-3-8-4-5-9(7-11)10(6-8)12-2/h3-6,9-10,12H,1H2,2H3/t9-,10?/m0/s1
InChIKeyQJGFMZKSQDAUAM-RGURZIINSA-N
XLogP1.40
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-Dimethylamino benzonitrile
CID 86741725
6-Amino-4-fluoro-3-methylcyclohexa-2,4-diene-1-carbonitrile
CID 89225475
3a,7a-dihydro-1H-indole-5-carbonitrile
CID 146164062
2-Tert-butyl-1,2-dihydropyridine-5-carbonitrile
CID 12794591
N,6-dimethylcyclohexa-2,4-dien-1-amine
CID 22084990
(E,4S)-5-methyl-4-(methylamino)hex-2-enenitrile
CID 59736110
2-(Ethylamino)cyclohexa-2,4-diene-1-carbonitrile
CID 70333080
3-Methyl-1,2,3,6-tetrahydropyridine-2-carbonitrile
CID 70625723
(3Z,6E,7Z)-6-ethylidene-1-N,2-dimethylnona-3,7-diene-1,5-diamine
CID 88578721
3-(Ethylamino)-3-methylcyclohexa-1,5-diene-1-carbonitrile
CID 89263558
5-Ethyl-1,2,3,6-tetrahydropyridine-2-carbonitrile
CID 89404660
N,3-dimethylcyclohexa-2,4-dien-1-amine
CID 89820559

Frequently Asked Questions

What is the IUPAC name of (1R)-4-ethenyl-6-(methylamino)cyclohexa-2,4-diene-1-carbonitrile?
The IUPAC name of (1R)-4-ethenyl-6-(methylamino)cyclohexa-2,4-diene-1-carbonitrile (CID 139524544) is (1R)-4-ethenyl-6-(methylamino)cyclohexa-2,4-diene-1-carbonitrile.
What is the SMILES notation for (1R)-4-ethenyl-6-(methylamino)cyclohexa-2,4-diene-1-carbonitrile?
The canonical SMILES for (1R)-4-ethenyl-6-(methylamino)cyclohexa-2,4-diene-1-carbonitrile is C=CC1=CC(NC)[C@H](C#N)C=C1.
What is the InChIKey of (1R)-4-ethenyl-6-(methylamino)cyclohexa-2,4-diene-1-carbonitrile?
The InChIKey is QJGFMZKSQDAUAM-RGURZIINSA-N. The full InChI is InChI=1S/C10H12N2/c1-3-8-4-5-9(7-11)10(6-8)12-2/h3-6,9-10,12H,1H2,2H3/t9-,10?/m0/s1.
What are the key properties of (1R)-4-ethenyl-6-(methylamino)cyclohexa-2,4-diene-1-carbonitrile?
(1R)-4-ethenyl-6-(methylamino)cyclohexa-2,4-diene-1-carbonitrile has a molecular weight of 160.22 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-4-ethenyl-6-(methylamino)cyclohexa-2,4-diene-1-carbonitrile is sourced from PubChem (CID 139524544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).