3-(dimethylamino)-6-oxocyclohexene-1-carboxamide

C9H14N2O2 — CID 10035263

IUPAC3-(dimethylamino)-6-oxocyclohexene-1-carboxamide
SMILESCN(C)C1C=C(C(N)=O)C(=O)CC1
InChIInChI=1S/C9H14N2O2/c1-11(2)6-3-4-8(12)7(5-6)9(10)13/h5-6H,3-4H2,1-2H3,(H2,10,13)
InChIKeyBSBPRVRMBHWCRS-UHFFFAOYSA-N
MW182.22 g/mol
LogP-0.31
Rot. Bonds2

About 3-(dimethylamino)-6-oxocyclohexene-1-carboxamide

3-(dimethylamino)-6-oxocyclohexene-1-carboxamide (PubChem CID 10035263) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 3-(dimethylamino)-6-oxocyclohexene-1-carboxamide.

Molecular Properties

Compound Name3-(dimethylamino)-6-oxocyclohexene-1-carboxamide
PubChem CID10035263
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name3-(dimethylamino)-6-oxocyclohexene-1-carboxamide
SMILESCN(C)C1C=C(C(N)=O)C(=O)CC1
InChIInChI=1S/C9H14N2O2/c1-11(2)6-3-4-8(12)7(5-6)9(10)13/h5-6H,3-4H2,1-2H3,(H2,10,13)
InChIKeyBSBPRVRMBHWCRS-UHFFFAOYSA-N
XLogP-0.31
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-6-oxocyclohexene-1-carboxamide?
The IUPAC name of 3-(dimethylamino)-6-oxocyclohexene-1-carboxamide (CID 10035263) is 3-(dimethylamino)-6-oxocyclohexene-1-carboxamide.
What is the SMILES notation for 3-(dimethylamino)-6-oxocyclohexene-1-carboxamide?
The canonical SMILES for 3-(dimethylamino)-6-oxocyclohexene-1-carboxamide is CN(C)C1C=C(C(N)=O)C(=O)CC1.
What is the InChIKey of 3-(dimethylamino)-6-oxocyclohexene-1-carboxamide?
The InChIKey is BSBPRVRMBHWCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-11(2)6-3-4-8(12)7(5-6)9(10)13/h5-6H,3-4H2,1-2H3,(H2,10,13).
What are the key properties of 3-(dimethylamino)-6-oxocyclohexene-1-carboxamide?
3-(dimethylamino)-6-oxocyclohexene-1-carboxamide has a molecular weight of 182.22 g/mol, XLogP of -0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-6-oxocyclohexene-1-carboxamide is sourced from PubChem (CID 10035263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).