1H-pyrrolo[2,3-i][1,4]benzodiazepin-2-one

C11H7N3O — CID 137190703

IUPAC1H-pyrrolo[2,3-i][1,4]benzodiazepin-2-one
SMILESO=c1cncc2ccc3nccc3c2[nH]1
InChIInChI=1S/C11H7N3O/c15-10-6-12-5-7-1-2-9-8(3-4-13-9)11(7)14-10/h1-6H,(H,14,15)
InChIKeyRSKBBHRUWLZORU-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.47
Rot. Bonds

About 1H-pyrrolo[2,3-i][1,4]benzodiazepin-2-one

1H-pyrrolo[2,3-i][1,4]benzodiazepin-2-one (PubChem CID 137190703) has the molecular formula C11H7N3O and a molecular weight of 197.20 g/mol. Its IUPAC name is 1H-pyrrolo[2,3-i][1,4]benzodiazepin-2-one.

Molecular Properties

Compound Name1H-pyrrolo[2,3-i][1,4]benzodiazepin-2-one
PubChem CID137190703
Molecular FormulaC11H7N3O
Molecular Weight197.20 g/mol
Exact Mass197.06
IUPAC Name1H-pyrrolo[2,3-i][1,4]benzodiazepin-2-one
SMILESO=c1cncc2ccc3nccc3c2[nH]1
InChIInChI=1S/C11H7N3O/c15-10-6-12-5-7-1-2-9-8(3-4-13-9)11(7)14-10/h1-6H,(H,14,15)
InChIKeyRSKBBHRUWLZORU-UHFFFAOYSA-N
XLogP1.47
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 136432883
2-(1,4-Benzodiazepin-2-ylidene)acetamide
CID 54264308
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CID 57449244
1H-pyrrolo[3,2-c]azepin-2-one
CID 67578917
1H-pyrrolo[2,3-e]indol-2-ylidenemethanone
CID 89928788
1,4-Dihydropyrrolo[3,2-c]pyridin-2-one
CID 126618278
Pyrrolobenzazepinone
CID 136423828
Azepinoindolone
CID 137178482
1H-pyrazolo[3,4-i][1,4]benzodiazepin-2-one
CID 137190705
2-(1H-pyrrolo[2,3-h]quinolin-2-yl)acetamide
CID 139641492
1H-pyrrolo[2,3-d]azepin-2-one
CID 141363173
1,3-Dihydropyrrolo[3,4-b]pyridin-2-one
CID 151947586

Frequently Asked Questions

What is the IUPAC name of 1H-pyrrolo[2,3-i][1,4]benzodiazepin-2-one?
The IUPAC name of 1H-pyrrolo[2,3-i][1,4]benzodiazepin-2-one (CID 137190703) is 1H-pyrrolo[2,3-i][1,4]benzodiazepin-2-one.
What is the SMILES notation for 1H-pyrrolo[2,3-i][1,4]benzodiazepin-2-one?
The canonical SMILES for 1H-pyrrolo[2,3-i][1,4]benzodiazepin-2-one is O=c1cncc2ccc3nccc3c2[nH]1.
What is the InChIKey of 1H-pyrrolo[2,3-i][1,4]benzodiazepin-2-one?
The InChIKey is RSKBBHRUWLZORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O/c15-10-6-12-5-7-1-2-9-8(3-4-13-9)11(7)14-10/h1-6H,(H,14,15).
What are the key properties of 1H-pyrrolo[2,3-i][1,4]benzodiazepin-2-one?
1H-pyrrolo[2,3-i][1,4]benzodiazepin-2-one has a molecular weight of 197.20 g/mol, XLogP of 1.47, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrrolo[2,3-i][1,4]benzodiazepin-2-one is sourced from PubChem (CID 137190703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).