N,N-bis(prop-2-enyl)azepane-2-carboxamide

C13H22N2O — CID 64561629

IUPACN,N-bis(prop-2-enyl)azepane-2-carboxamide
SMILESC=CCN(CC=C)C(=O)C1CCCCCN1
InChIInChI=1S/C13H22N2O/c1-3-10-15(11-4-2)13(16)12-8-6-5-7-9-14-12/h3-4,12,14H,1-2,5-11H2
InChIKeyRZRRERNVZGYKQD-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.72
Rot. Bonds5

About N,N-bis(prop-2-enyl)azepane-2-carboxamide

N,N-bis(prop-2-enyl)azepane-2-carboxamide (PubChem CID 64561629) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N,N-bis(prop-2-enyl)azepane-2-carboxamide.

Molecular Properties

Compound NameN,N-bis(prop-2-enyl)azepane-2-carboxamide
PubChem CID64561629
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN,N-bis(prop-2-enyl)azepane-2-carboxamide
SMILESC=CCN(CC=C)C(=O)C1CCCCCN1
InChIInChI=1S/C13H22N2O/c1-3-10-15(11-4-2)13(16)12-8-6-5-7-9-14-12/h3-4,12,14H,1-2,5-11H2
InChIKeyRZRRERNVZGYKQD-UHFFFAOYSA-N
XLogP1.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(prop-2-enyl)azepane-2-carboxamide?
The IUPAC name of N,N-bis(prop-2-enyl)azepane-2-carboxamide (CID 64561629) is N,N-bis(prop-2-enyl)azepane-2-carboxamide.
What is the SMILES notation for N,N-bis(prop-2-enyl)azepane-2-carboxamide?
The canonical SMILES for N,N-bis(prop-2-enyl)azepane-2-carboxamide is C=CCN(CC=C)C(=O)C1CCCCCN1.
What is the InChIKey of N,N-bis(prop-2-enyl)azepane-2-carboxamide?
The InChIKey is RZRRERNVZGYKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-3-10-15(11-4-2)13(16)12-8-6-5-7-9-14-12/h3-4,12,14H,1-2,5-11H2.
What are the key properties of N,N-bis(prop-2-enyl)azepane-2-carboxamide?
N,N-bis(prop-2-enyl)azepane-2-carboxamide has a molecular weight of 222.33 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(prop-2-enyl)azepane-2-carboxamide is sourced from PubChem (CID 64561629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).