(6R)-6-amino-4-methyl-5-methylidenecyclohexa-1,3-diene-1,3-dicarbonitrile

C10H9N3 — CID 163595016

IUPAC(6R)-6-amino-4-methyl-5-methylidenecyclohexa-1,3-diene-1,3-dicarbonitrile
SMILESC=C1C(C)=C(C#N)C=C(C#N)[C@@H]1N
InChIInChI=1S/C10H9N3/c1-6-7(2)10(13)9(5-12)3-8(6)4-11/h3,10H,2,13H2,1H3/t10-/m1/s1
InChIKeyGSRQAJWITCTYTP-SNVBAGLBSA-N
MW171.20 g/mol
LogP1.17
Rot. Bonds

About (6R)-6-amino-4-methyl-5-methylidenecyclohexa-1,3-diene-1,3-dicarbonitrile

(6R)-6-amino-4-methyl-5-methylidenecyclohexa-1,3-diene-1,3-dicarbonitrile (PubChem CID 163595016) has the molecular formula C10H9N3 and a molecular weight of 171.20 g/mol. Its IUPAC name is (6R)-6-amino-4-methyl-5-methylidenecyclohexa-1,3-diene-1,3-dicarbonitrile.

Molecular Properties

Compound Name(6R)-6-amino-4-methyl-5-methylidenecyclohexa-1,3-diene-1,3-dicarbonitrile
PubChem CID163595016
Molecular FormulaC10H9N3
Molecular Weight171.20 g/mol
Exact Mass171.08
IUPAC Name(6R)-6-amino-4-methyl-5-methylidenecyclohexa-1,3-diene-1,3-dicarbonitrile
SMILESC=C1C(C)=C(C#N)C=C(C#N)[C@@H]1N
InChIInChI=1S/C10H9N3/c1-6-7(2)10(13)9(5-12)3-8(6)4-11/h3,10H,2,13H2,1H3/t10-/m1/s1
InChIKeyGSRQAJWITCTYTP-SNVBAGLBSA-N
XLogP1.17
TPSA73.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-Amino-3-methyl-4-(trifluoromethyl)cyclohexa-1,3-diene-1-carbonitrile
CID 91104937
(Z)-5-amino-4-(1-fluoroethenyl)-2-methylidenehept-3-enenitrile
CID 170619252
2-Amino-6-methylhept-5-enenitrile
CID 18680220
2,5-Dimethylcyclohexa-2,4-dien-1-amine
CID 18972263
2-(Cyclohex-1-enyl)-2-aminoethanenitrile
CID 21939665
6-Aminocyclohexa-1,3-diene-1-carbonitrile
CID 68232076
2-Amino-2-cyclohexa-1,3-dien-1-ylacetonitrile
CID 68311595
2-(6-Aminocyclohexa-1,3,4-trien-1-yl)-2-methylpropanenitrile
CID 89216420
(5R)-5-aminocyclohexa-1,3-diene-1-carbonitrile
CID 118518487
5-Amino-6-methylcyclohexa-1,3-diene-1-carbonitrile
CID 123175305
2-Amino-4-methylhept-4-enenitrile
CID 123469163
(E,2E)-5-amino-2-ethylidene-4-methylhept-3-enedinitrile
CID 126663516

Frequently Asked Questions

What is the IUPAC name of (6R)-6-amino-4-methyl-5-methylidenecyclohexa-1,3-diene-1,3-dicarbonitrile?
The IUPAC name of (6R)-6-amino-4-methyl-5-methylidenecyclohexa-1,3-diene-1,3-dicarbonitrile (CID 163595016) is (6R)-6-amino-4-methyl-5-methylidenecyclohexa-1,3-diene-1,3-dicarbonitrile.
What is the SMILES notation for (6R)-6-amino-4-methyl-5-methylidenecyclohexa-1,3-diene-1,3-dicarbonitrile?
The canonical SMILES for (6R)-6-amino-4-methyl-5-methylidenecyclohexa-1,3-diene-1,3-dicarbonitrile is C=C1C(C)=C(C#N)C=C(C#N)[C@@H]1N.
What is the InChIKey of (6R)-6-amino-4-methyl-5-methylidenecyclohexa-1,3-diene-1,3-dicarbonitrile?
The InChIKey is GSRQAJWITCTYTP-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H9N3/c1-6-7(2)10(13)9(5-12)3-8(6)4-11/h3,10H,2,13H2,1H3/t10-/m1/s1.
What are the key properties of (6R)-6-amino-4-methyl-5-methylidenecyclohexa-1,3-diene-1,3-dicarbonitrile?
(6R)-6-amino-4-methyl-5-methylidenecyclohexa-1,3-diene-1,3-dicarbonitrile has a molecular weight of 171.20 g/mol, XLogP of 1.17, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-amino-4-methyl-5-methylidenecyclohexa-1,3-diene-1,3-dicarbonitrile is sourced from PubChem (CID 163595016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).