2-amino-6-formyl-N-methylcyclohex-3-ene-1-carboxamide

C9H14N2O2 — CID 142205809

IUPAC2-amino-6-formyl-N-methylcyclohex-3-ene-1-carboxamide
SMILESCNC(=O)C1C(N)C=CCC1C=O
InChIInChI=1S/C9H14N2O2/c1-11-9(13)8-6(5-12)3-2-4-7(8)10/h2,4-8H,3,10H2,1H3,(H,11,13)
InChIKeyCWCFKQIIMNWBLV-UHFFFAOYSA-N
MW182.22 g/mol
LogP-0.55
Rot. Bonds2

About 2-amino-6-formyl-N-methylcyclohex-3-ene-1-carboxamide

2-amino-6-formyl-N-methylcyclohex-3-ene-1-carboxamide (PubChem CID 142205809) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-amino-6-formyl-N-methylcyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name2-amino-6-formyl-N-methylcyclohex-3-ene-1-carboxamide
PubChem CID142205809
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2-amino-6-formyl-N-methylcyclohex-3-ene-1-carboxamide
SMILESCNC(=O)C1C(N)C=CCC1C=O
InChIInChI=1S/C9H14N2O2/c1-11-9(13)8-6(5-12)3-2-4-7(8)10/h2,4-8H,3,10H2,1H3,(H,11,13)
InChIKeyCWCFKQIIMNWBLV-UHFFFAOYSA-N
XLogP-0.55
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-formyl-N-methylcyclohex-3-ene-1-carboxamide?
The IUPAC name of 2-amino-6-formyl-N-methylcyclohex-3-ene-1-carboxamide (CID 142205809) is 2-amino-6-formyl-N-methylcyclohex-3-ene-1-carboxamide.
What is the SMILES notation for 2-amino-6-formyl-N-methylcyclohex-3-ene-1-carboxamide?
The canonical SMILES for 2-amino-6-formyl-N-methylcyclohex-3-ene-1-carboxamide is CNC(=O)C1C(N)C=CCC1C=O.
What is the InChIKey of 2-amino-6-formyl-N-methylcyclohex-3-ene-1-carboxamide?
The InChIKey is CWCFKQIIMNWBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-11-9(13)8-6(5-12)3-2-4-7(8)10/h2,4-8H,3,10H2,1H3,(H,11,13).
What are the key properties of 2-amino-6-formyl-N-methylcyclohex-3-ene-1-carboxamide?
2-amino-6-formyl-N-methylcyclohex-3-ene-1-carboxamide has a molecular weight of 182.22 g/mol, XLogP of -0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-formyl-N-methylcyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 142205809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).