3-(1,4-dihydrocinnolin-3-yl)-1-(1H-pyrrol-2-yl)propan-1-one

C15H15N3O — CID 154708770

IUPAC3-(1,4-dihydrocinnolin-3-yl)-1-(1H-pyrrol-2-yl)propan-1-one
SMILESO=C(CCC1=NNc2ccccc2C1)c1ccc[nH]1
InChIInChI=1S/C15H15N3O/c19-15(14-6-3-9-16-14)8-7-12-10-11-4-1-2-5-13(11)18-17-12/h1-6,9,16,18H,7-8,10H2
InChIKeyDNLMBAMBIATQPR-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.00
Rot. Bonds4

About 3-(1,4-dihydrocinnolin-3-yl)-1-(1H-pyrrol-2-yl)propan-1-one

3-(1,4-dihydrocinnolin-3-yl)-1-(1H-pyrrol-2-yl)propan-1-one (PubChem CID 154708770) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 3-(1,4-dihydrocinnolin-3-yl)-1-(1H-pyrrol-2-yl)propan-1-one.

Molecular Properties

Compound Name3-(1,4-dihydrocinnolin-3-yl)-1-(1H-pyrrol-2-yl)propan-1-one
PubChem CID154708770
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name3-(1,4-dihydrocinnolin-3-yl)-1-(1H-pyrrol-2-yl)propan-1-one
SMILESO=C(CCC1=NNc2ccccc2C1)c1ccc[nH]1
InChIInChI=1S/C15H15N3O/c19-15(14-6-3-9-16-14)8-7-12-10-11-4-1-2-5-13(11)18-17-12/h1-6,9,16,18H,7-8,10H2
InChIKeyDNLMBAMBIATQPR-UHFFFAOYSA-N
XLogP3.00
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dihydrocinnolin-3-yl)-1-(1H-pyrrol-2-yl)propan-1-one?
The IUPAC name of 3-(1,4-dihydrocinnolin-3-yl)-1-(1H-pyrrol-2-yl)propan-1-one (CID 154708770) is 3-(1,4-dihydrocinnolin-3-yl)-1-(1H-pyrrol-2-yl)propan-1-one.
What is the SMILES notation for 3-(1,4-dihydrocinnolin-3-yl)-1-(1H-pyrrol-2-yl)propan-1-one?
The canonical SMILES for 3-(1,4-dihydrocinnolin-3-yl)-1-(1H-pyrrol-2-yl)propan-1-one is O=C(CCC1=NNc2ccccc2C1)c1ccc[nH]1.
What is the InChIKey of 3-(1,4-dihydrocinnolin-3-yl)-1-(1H-pyrrol-2-yl)propan-1-one?
The InChIKey is DNLMBAMBIATQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c19-15(14-6-3-9-16-14)8-7-12-10-11-4-1-2-5-13(11)18-17-12/h1-6,9,16,18H,7-8,10H2.
What are the key properties of 3-(1,4-dihydrocinnolin-3-yl)-1-(1H-pyrrol-2-yl)propan-1-one?
3-(1,4-dihydrocinnolin-3-yl)-1-(1H-pyrrol-2-yl)propan-1-one has a molecular weight of 253.31 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-dihydrocinnolin-3-yl)-1-(1H-pyrrol-2-yl)propan-1-one is sourced from PubChem (CID 154708770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).