2,3-dihydro-1H-1,5-benzodiazepine

C9H10N2 — CID 15618161

IUPAC2,3-dihydro-1H-1,5-benzodiazepine
SMILESC1=Nc2ccccc2NCC1
InChIInChI=1S/C9H10N2/c1-2-5-9-8(4-1)10-6-3-7-11-9/h1-2,4-6,11H,3,7H2
InChIKeySIIKCBQQRQJPRK-UHFFFAOYSA-N
MW146.19 g/mol
LogP2.20
Rot. Bonds

About 2,3-dihydro-1H-1,5-benzodiazepine

2,3-dihydro-1H-1,5-benzodiazepine (PubChem CID 15618161) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 2,3-dihydro-1H-1,5-benzodiazepine.

Molecular Properties

Compound Name2,3-dihydro-1H-1,5-benzodiazepine
PubChem CID15618161
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name2,3-dihydro-1H-1,5-benzodiazepine
SMILESC1=Nc2ccccc2NCC1
InChIInChI=1S/C9H10N2/c1-2-5-9-8(4-1)10-6-3-7-11-9/h1-2,4-6,11H,3,7H2
InChIKeySIIKCBQQRQJPRK-UHFFFAOYSA-N
XLogP2.20
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-1,5-benzodiazepine?
The IUPAC name of 2,3-dihydro-1H-1,5-benzodiazepine (CID 15618161) is 2,3-dihydro-1H-1,5-benzodiazepine.
What is the SMILES notation for 2,3-dihydro-1H-1,5-benzodiazepine?
The canonical SMILES for 2,3-dihydro-1H-1,5-benzodiazepine is C1=Nc2ccccc2NCC1.
What is the InChIKey of 2,3-dihydro-1H-1,5-benzodiazepine?
The InChIKey is SIIKCBQQRQJPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c1-2-5-9-8(4-1)10-6-3-7-11-9/h1-2,4-6,11H,3,7H2.
What are the key properties of 2,3-dihydro-1H-1,5-benzodiazepine?
2,3-dihydro-1H-1,5-benzodiazepine has a molecular weight of 146.19 g/mol, XLogP of 2.20, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-1,5-benzodiazepine is sourced from PubChem (CID 15618161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).