N-carbamoyl-N-prop-2-enoylcyclohex-3-ene-1-carboxamide

C11H14N2O3 — CID 89092578

IUPACN-carbamoyl-N-prop-2-enoylcyclohex-3-ene-1-carboxamide
SMILESC=CC(=O)N(C(N)=O)C(=O)C1CC=CCC1
InChIInChI=1S/C11H14N2O3/c1-2-9(14)13(11(12)16)10(15)8-6-4-3-5-7-8/h2-4,8H,1,5-7H2,(H2,12,16)
InChIKeyIYSJUQNNOONAIU-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.96
Rot. Bonds2

About N-carbamoyl-N-prop-2-enoylcyclohex-3-ene-1-carboxamide

N-carbamoyl-N-prop-2-enoylcyclohex-3-ene-1-carboxamide (PubChem CID 89092578) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is N-carbamoyl-N-prop-2-enoylcyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-carbamoyl-N-prop-2-enoylcyclohex-3-ene-1-carboxamide
PubChem CID89092578
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC NameN-carbamoyl-N-prop-2-enoylcyclohex-3-ene-1-carboxamide
SMILESC=CC(=O)N(C(N)=O)C(=O)C1CC=CCC1
InChIInChI=1S/C11H14N2O3/c1-2-9(14)13(11(12)16)10(15)8-6-4-3-5-7-8/h2-4,8H,1,5-7H2,(H2,12,16)
InChIKeyIYSJUQNNOONAIU-UHFFFAOYSA-N
XLogP0.96
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-N-prop-2-enoylcyclohex-3-ene-1-carboxamide?
The IUPAC name of N-carbamoyl-N-prop-2-enoylcyclohex-3-ene-1-carboxamide (CID 89092578) is N-carbamoyl-N-prop-2-enoylcyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-carbamoyl-N-prop-2-enoylcyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-carbamoyl-N-prop-2-enoylcyclohex-3-ene-1-carboxamide is C=CC(=O)N(C(N)=O)C(=O)C1CC=CCC1.
What is the InChIKey of N-carbamoyl-N-prop-2-enoylcyclohex-3-ene-1-carboxamide?
The InChIKey is IYSJUQNNOONAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-2-9(14)13(11(12)16)10(15)8-6-4-3-5-7-8/h2-4,8H,1,5-7H2,(H2,12,16).
What are the key properties of N-carbamoyl-N-prop-2-enoylcyclohex-3-ene-1-carboxamide?
N-carbamoyl-N-prop-2-enoylcyclohex-3-ene-1-carboxamide has a molecular weight of 222.24 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-N-prop-2-enoylcyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 89092578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).