(6R)-3-cyano-6-methylcyclohexa-2,4-diene-1-carboxamide

C9H10N2O — CID 146333409

IUPAC(6R)-3-cyano-6-methylcyclohexa-2,4-diene-1-carboxamide
SMILESC[C@@H]1C=CC(C#N)=CC1C(N)=O
InChIInChI=1S/C9H10N2O/c1-6-2-3-7(5-10)4-8(6)9(11)12/h2-4,6,8H,1H3,(H2,11,12)/t6-,8?/m1/s1
InChIKeyJFZXUUYIAKBJQM-XPJFZRNWSA-N
MW162.19 g/mol
LogP0.74
Rot. Bonds1

About (6R)-3-cyano-6-methylcyclohexa-2,4-diene-1-carboxamide

(6R)-3-cyano-6-methylcyclohexa-2,4-diene-1-carboxamide (PubChem CID 146333409) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is (6R)-3-cyano-6-methylcyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound Name(6R)-3-cyano-6-methylcyclohexa-2,4-diene-1-carboxamide
PubChem CID146333409
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name(6R)-3-cyano-6-methylcyclohexa-2,4-diene-1-carboxamide
SMILESC[C@@H]1C=CC(C#N)=CC1C(N)=O
InChIInChI=1S/C9H10N2O/c1-6-2-3-7(5-10)4-8(6)9(11)12/h2-4,6,8H,1H3,(H2,11,12)/t6-,8?/m1/s1
InChIKeyJFZXUUYIAKBJQM-XPJFZRNWSA-N
XLogP0.74
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-Cyano-6-fluorocyclohexa-2,4-diene-1-carboxamide
CID 118384309
4-Methylcyclohexa-2,4-diene-1-carboxamide
CID 19593437
4-Propylcyclohexa-2,4-diene-1-carboxamide
CID 89176432
(6E)-6-ethylidenecyclohexa-2,4-diene-1-carboxamide
CID 89811507
2-[(3R)-3-methylcyclohexa-1,5-dien-1-yl]acetamide
CID 118218247
6-Methylcyclohexa-2,4-diene-1-carboxamide
CID 126499312
5-Cyano-3-methylpent-4-enamide
CID 140006430
(2S)-2-(4-methylcyclohexa-1,5-dien-1-yl)propanamide
CID 143355747
(2S,3E)-2-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dienamide
CID 143357127
ethane;(2S)-2-(3-methylcyclohexa-1,5-dien-1-yl)propanamide
CID 143361944
2-Cyclohexa-1,5-dien-1-ylpropanamide;molecular hydrogen
CID 144168648
2-Cyclohexa-1,5-dien-1-ylpropanamide
CID 144168649

Frequently Asked Questions

What is the IUPAC name of (6R)-3-cyano-6-methylcyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of (6R)-3-cyano-6-methylcyclohexa-2,4-diene-1-carboxamide (CID 146333409) is (6R)-3-cyano-6-methylcyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for (6R)-3-cyano-6-methylcyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for (6R)-3-cyano-6-methylcyclohexa-2,4-diene-1-carboxamide is C[C@@H]1C=CC(C#N)=CC1C(N)=O.
What is the InChIKey of (6R)-3-cyano-6-methylcyclohexa-2,4-diene-1-carboxamide?
The InChIKey is JFZXUUYIAKBJQM-XPJFZRNWSA-N. The full InChI is InChI=1S/C9H10N2O/c1-6-2-3-7(5-10)4-8(6)9(11)12/h2-4,6,8H,1H3,(H2,11,12)/t6-,8?/m1/s1.
What are the key properties of (6R)-3-cyano-6-methylcyclohexa-2,4-diene-1-carboxamide?
(6R)-3-cyano-6-methylcyclohexa-2,4-diene-1-carboxamide has a molecular weight of 162.19 g/mol, XLogP of 0.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-3-cyano-6-methylcyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 146333409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).