5-ethenyl-6-[(Z)-prop-1-enyl]-2H-1,3-diazepine

C10H12N2 — CID 139304201

IUPAC5-ethenyl-6-[(Z)-prop-1-enyl]-2H-1,3-diazepine
SMILESC=CC1=C(/C=C\C)C=NCN=C1
InChIInChI=1S/C10H12N2/c1-3-5-10-7-12-8-11-6-9(10)4-2/h3-7H,2,8H2,1H3/b5-3-
InChIKeyCDUYNUJRCJZIPH-HYXAFXHYSA-N
MW160.22 g/mol
LogP2.16
Rot. Bonds2

About 5-ethenyl-6-[(Z)-prop-1-enyl]-2H-1,3-diazepine

5-ethenyl-6-[(Z)-prop-1-enyl]-2H-1,3-diazepine (PubChem CID 139304201) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 5-ethenyl-6-[(Z)-prop-1-enyl]-2H-1,3-diazepine.

Molecular Properties

Compound Name5-ethenyl-6-[(Z)-prop-1-enyl]-2H-1,3-diazepine
PubChem CID139304201
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name5-ethenyl-6-[(Z)-prop-1-enyl]-2H-1,3-diazepine
SMILESC=CC1=C(/C=C\C)C=NCN=C1
InChIInChI=1S/C10H12N2/c1-3-5-10-7-12-8-11-6-9(10)4-2/h3-7H,2,8H2,1H3/b5-3-
InChIKeyCDUYNUJRCJZIPH-HYXAFXHYSA-N
XLogP2.16
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-6-[(Z)-prop-1-enyl]-2H-1,3-diazepine?
The IUPAC name of 5-ethenyl-6-[(Z)-prop-1-enyl]-2H-1,3-diazepine (CID 139304201) is 5-ethenyl-6-[(Z)-prop-1-enyl]-2H-1,3-diazepine.
What is the SMILES notation for 5-ethenyl-6-[(Z)-prop-1-enyl]-2H-1,3-diazepine?
The canonical SMILES for 5-ethenyl-6-[(Z)-prop-1-enyl]-2H-1,3-diazepine is C=CC1=C(/C=C\C)C=NCN=C1.
What is the InChIKey of 5-ethenyl-6-[(Z)-prop-1-enyl]-2H-1,3-diazepine?
The InChIKey is CDUYNUJRCJZIPH-HYXAFXHYSA-N. The full InChI is InChI=1S/C10H12N2/c1-3-5-10-7-12-8-11-6-9(10)4-2/h3-7H,2,8H2,1H3/b5-3-.
What are the key properties of 5-ethenyl-6-[(Z)-prop-1-enyl]-2H-1,3-diazepine?
5-ethenyl-6-[(Z)-prop-1-enyl]-2H-1,3-diazepine has a molecular weight of 160.22 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-6-[(Z)-prop-1-enyl]-2H-1,3-diazepine is sourced from PubChem (CID 139304201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).