4-(prop-2-enoylamino)cyclohexane-1-carboxamide

C10H16N2O2 — CID 43696419

IUPAC4-(prop-2-enoylamino)cyclohexane-1-carboxamide
SMILESC=CC(=O)NC1CCC(C(N)=O)CC1
InChIInChI=1S/C10H16N2O2/c1-2-9(13)12-8-5-3-7(4-6-8)10(11)14/h2,7-8H,1,3-6H2,(H2,11,14)(H,12,13)
InChIKeyDTDWKILHCVLLQO-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.33
Rot. Bonds3

About 4-(prop-2-enoylamino)cyclohexane-1-carboxamide

4-(prop-2-enoylamino)cyclohexane-1-carboxamide (PubChem CID 43696419) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-(prop-2-enoylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(prop-2-enoylamino)cyclohexane-1-carboxamide
PubChem CID43696419
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name4-(prop-2-enoylamino)cyclohexane-1-carboxamide
SMILESC=CC(=O)NC1CCC(C(N)=O)CC1
InChIInChI=1S/C10H16N2O2/c1-2-9(13)12-8-5-3-7(4-6-8)10(11)14/h2,7-8H,1,3-6H2,(H2,11,14)(H,12,13)
InChIKeyDTDWKILHCVLLQO-UHFFFAOYSA-N
XLogP0.33
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(prop-2-enoylamino)cyclohexane-1-carboxamide?
The IUPAC name of 4-(prop-2-enoylamino)cyclohexane-1-carboxamide (CID 43696419) is 4-(prop-2-enoylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(prop-2-enoylamino)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(prop-2-enoylamino)cyclohexane-1-carboxamide is C=CC(=O)NC1CCC(C(N)=O)CC1.
What is the InChIKey of 4-(prop-2-enoylamino)cyclohexane-1-carboxamide?
The InChIKey is DTDWKILHCVLLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-2-9(13)12-8-5-3-7(4-6-8)10(11)14/h2,7-8H,1,3-6H2,(H2,11,14)(H,12,13).
What are the key properties of 4-(prop-2-enoylamino)cyclohexane-1-carboxamide?
4-(prop-2-enoylamino)cyclohexane-1-carboxamide has a molecular weight of 196.25 g/mol, XLogP of 0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(prop-2-enoylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 43696419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).