(3R)-3-amino-2,3-dihydro-1,5-benzodiazepin-4-one

C9H9N3O — CID 139702646

IUPAC(3R)-3-amino-2,3-dihydro-1,5-benzodiazepin-4-one
SMILESN[C@@H]1CN=c2ccccc2=NC1=O
InChIInChI=1S/C9H9N3O/c10-6-5-11-7-3-1-2-4-8(7)12-9(6)13/h1-4,6H,5,10H2/t6-/m1/s1
InChIKeyVQGBCLUDPNPIPL-ZCFIWIBFSA-N
MW175.19 g/mol
LogP-1.21
Rot. Bonds

About (3R)-3-amino-2,3-dihydro-1,5-benzodiazepin-4-one

(3R)-3-amino-2,3-dihydro-1,5-benzodiazepin-4-one (PubChem CID 139702646) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is (3R)-3-amino-2,3-dihydro-1,5-benzodiazepin-4-one.

Molecular Properties

Compound Name(3R)-3-amino-2,3-dihydro-1,5-benzodiazepin-4-one
PubChem CID139702646
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name(3R)-3-amino-2,3-dihydro-1,5-benzodiazepin-4-one
SMILESN[C@@H]1CN=c2ccccc2=NC1=O
InChIInChI=1S/C9H9N3O/c10-6-5-11-7-3-1-2-4-8(7)12-9(6)13/h1-4,6H,5,10H2/t6-/m1/s1
InChIKeyVQGBCLUDPNPIPL-ZCFIWIBFSA-N
XLogP-1.21
TPSA67.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 5-1.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-Dihydro-1,5-benzodiazepin-2-one
CID 91516001
(2R)-2-methyl-2,3-dihydro-1,5-benzodiazepin-4-one
CID 121232372
3-oxo-2H-quinoxaline-2-carboxamide
CID 73180761
3-(Aminomethyl)-1,4-benzodiazepin-2-one
CID 152199547
N-[(1Z)-6-Amino-2,4-cyclohexadien-1-ylidene]acetamide
CID 45078687
3-(aminomethyl)-3H-quinoxalin-2-one
CID 76851164
3-amino-3H-quinolin-2-one
CID 77620786
N-[(6S)-6-aminocyclohexa-2,4-dien-1-ylidene]acetamide
CID 97302723
N-[(6R)-6-aminocyclohexa-2,4-dien-1-ylidene]acetamide
CID 97302724

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-2,3-dihydro-1,5-benzodiazepin-4-one?
The IUPAC name of (3R)-3-amino-2,3-dihydro-1,5-benzodiazepin-4-one (CID 139702646) is (3R)-3-amino-2,3-dihydro-1,5-benzodiazepin-4-one.
What is the SMILES notation for (3R)-3-amino-2,3-dihydro-1,5-benzodiazepin-4-one?
The canonical SMILES for (3R)-3-amino-2,3-dihydro-1,5-benzodiazepin-4-one is N[C@@H]1CN=c2ccccc2=NC1=O.
What is the InChIKey of (3R)-3-amino-2,3-dihydro-1,5-benzodiazepin-4-one?
The InChIKey is VQGBCLUDPNPIPL-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H9N3O/c10-6-5-11-7-3-1-2-4-8(7)12-9(6)13/h1-4,6H,5,10H2/t6-/m1/s1.
What are the key properties of (3R)-3-amino-2,3-dihydro-1,5-benzodiazepin-4-one?
(3R)-3-amino-2,3-dihydro-1,5-benzodiazepin-4-one has a molecular weight of 175.19 g/mol, XLogP of -1.21, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-2,3-dihydro-1,5-benzodiazepin-4-one is sourced from PubChem (CID 139702646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).