3-[(Z)-2-hydroxyprop-1-enyl]-1,5-benzodiazepin-2-one

C12H10N2O2 — CID 137303725

IUPAC3-[(Z)-2-hydroxyprop-1-enyl]-1,5-benzodiazepin-2-one
SMILESC/C(O)=C/c1cnc2ccccc2nc1=O
InChIInChI=1S/C12H10N2O2/c1-8(15)6-9-7-13-10-4-2-3-5-11(10)14-12(9)16/h2-7,15H,1H3/b8-6-
InChIKeyAZCNQZKJDSLNMQ-VURMDHGXSA-N
MW214.22 g/mol
LogP1.91
Rot. Bonds1

About 3-[(Z)-2-hydroxyprop-1-enyl]-1,5-benzodiazepin-2-one

3-[(Z)-2-hydroxyprop-1-enyl]-1,5-benzodiazepin-2-one (PubChem CID 137303725) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 3-[(Z)-2-hydroxyprop-1-enyl]-1,5-benzodiazepin-2-one.

Molecular Properties

Compound Name3-[(Z)-2-hydroxyprop-1-enyl]-1,5-benzodiazepin-2-one
PubChem CID137303725
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name3-[(Z)-2-hydroxyprop-1-enyl]-1,5-benzodiazepin-2-one
SMILESC/C(O)=C/c1cnc2ccccc2nc1=O
InChIInChI=1S/C12H10N2O2/c1-8(15)6-9-7-13-10-4-2-3-5-11(10)14-12(9)16/h2-7,15H,1H3/b8-6-
InChIKeyAZCNQZKJDSLNMQ-VURMDHGXSA-N
XLogP1.91
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

3-Methyl-1,4-benzodiazepin-2-one
CID 19781538
3-Propan-2-yl-1,5-benzodiazepin-2-one
CID 21472108
4-Hydroxy-3-propan-2-yl-1,5-benzodiazepin-2-one
CID 54554058
3-Prop-2-enyl-1,5-benzodiazepin-2-one
CID 174790918
3,7-Dimethyl-1,5-benzodiazepin-2-one
CID 85716634

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-2-hydroxyprop-1-enyl]-1,5-benzodiazepin-2-one?
The IUPAC name of 3-[(Z)-2-hydroxyprop-1-enyl]-1,5-benzodiazepin-2-one (CID 137303725) is 3-[(Z)-2-hydroxyprop-1-enyl]-1,5-benzodiazepin-2-one.
What is the SMILES notation for 3-[(Z)-2-hydroxyprop-1-enyl]-1,5-benzodiazepin-2-one?
The canonical SMILES for 3-[(Z)-2-hydroxyprop-1-enyl]-1,5-benzodiazepin-2-one is C/C(O)=C/c1cnc2ccccc2nc1=O.
What is the InChIKey of 3-[(Z)-2-hydroxyprop-1-enyl]-1,5-benzodiazepin-2-one?
The InChIKey is AZCNQZKJDSLNMQ-VURMDHGXSA-N. The full InChI is InChI=1S/C12H10N2O2/c1-8(15)6-9-7-13-10-4-2-3-5-11(10)14-12(9)16/h2-7,15H,1H3/b8-6-.
What are the key properties of 3-[(Z)-2-hydroxyprop-1-enyl]-1,5-benzodiazepin-2-one?
3-[(Z)-2-hydroxyprop-1-enyl]-1,5-benzodiazepin-2-one has a molecular weight of 214.22 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-2-hydroxyprop-1-enyl]-1,5-benzodiazepin-2-one is sourced from PubChem (CID 137303725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).