(E)-2-cyano-3-[(1R)-cyclohex-3-en-1-yl]prop-2-enamide

C10H12N2O — CID 7749535

IUPAC(E)-2-cyano-3-[(1R)-cyclohex-3-en-1-yl]prop-2-enamide
SMILESN#C/C(=C\[C@H]1CC=CCC1)C(N)=O
InChIInChI=1S/C10H12N2O/c11-7-9(10(12)13)6-8-4-2-1-3-5-8/h1-2,6,8H,3-5H2,(H2,12,13)/b9-6+/t8-/m0/s1
InChIKeyRQQOVNANKCMMTB-CYXIBPNKSA-N
MW176.22 g/mol
LogP1.28
Rot. Bonds2

About (E)-2-cyano-3-[(1R)-cyclohex-3-en-1-yl]prop-2-enamide

(E)-2-cyano-3-[(1R)-cyclohex-3-en-1-yl]prop-2-enamide (PubChem CID 7749535) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is (E)-2-cyano-3-[(1R)-cyclohex-3-en-1-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-[(1R)-cyclohex-3-en-1-yl]prop-2-enamide
PubChem CID7749535
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name(E)-2-cyano-3-[(1R)-cyclohex-3-en-1-yl]prop-2-enamide
SMILESN#C/C(=C\[C@H]1CC=CCC1)C(N)=O
InChIInChI=1S/C10H12N2O/c11-7-9(10(12)13)6-8-4-2-1-3-5-8/h1-2,6,8H,3-5H2,(H2,12,13)/b9-6+/t8-/m0/s1
InChIKeyRQQOVNANKCMMTB-CYXIBPNKSA-N
XLogP1.28
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'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 (E)-2-cyano-3-[(1R)-cyclohex-3-en-1-yl]prop-2-enamide?
The IUPAC name of (E)-2-cyano-3-[(1R)-cyclohex-3-en-1-yl]prop-2-enamide (CID 7749535) is (E)-2-cyano-3-[(1R)-cyclohex-3-en-1-yl]prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-[(1R)-cyclohex-3-en-1-yl]prop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-[(1R)-cyclohex-3-en-1-yl]prop-2-enamide is N#C/C(=C\[C@H]1CC=CCC1)C(N)=O.
What is the InChIKey of (E)-2-cyano-3-[(1R)-cyclohex-3-en-1-yl]prop-2-enamide?
The InChIKey is RQQOVNANKCMMTB-CYXIBPNKSA-N. The full InChI is InChI=1S/C10H12N2O/c11-7-9(10(12)13)6-8-4-2-1-3-5-8/h1-2,6,8H,3-5H2,(H2,12,13)/b9-6+/t8-/m0/s1.
What are the key properties of (E)-2-cyano-3-[(1R)-cyclohex-3-en-1-yl]prop-2-enamide?
(E)-2-cyano-3-[(1R)-cyclohex-3-en-1-yl]prop-2-enamide has a molecular weight of 176.22 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-[(1R)-cyclohex-3-en-1-yl]prop-2-enamide is sourced from PubChem (CID 7749535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).