6,7-dihydro-5H-pyrrolizin-3-yl(phenyl)methanone

C14H13NO — CID 71209516

IUPAC6,7-dihydro-5H-pyrrolizin-3-yl(phenyl)methanone
SMILESO=C(c1ccccc1)c1ccc2n1CCC2
InChIInChI=1S/C14H13NO/c16-14(11-5-2-1-3-6-11)13-9-8-12-7-4-10-15(12)13/h1-3,5-6,8-9H,4,7,10H2
InChIKeyDHUITNLXEMJSMU-UHFFFAOYSA-N
MW211.26 g/mol
LogP2.67
Rot. Bonds2

About 6,7-dihydro-5H-pyrrolizin-3-yl(phenyl)methanone

6,7-dihydro-5H-pyrrolizin-3-yl(phenyl)methanone (PubChem CID 71209516) has the molecular formula C14H13NO and a molecular weight of 211.26 g/mol. Its IUPAC name is 6,7-dihydro-5H-pyrrolizin-3-yl(phenyl)methanone.

Molecular Properties

Compound Name6,7-dihydro-5H-pyrrolizin-3-yl(phenyl)methanone
PubChem CID71209516
Molecular FormulaC14H13NO
Molecular Weight211.26 g/mol
Exact Mass211.10
IUPAC Name6,7-dihydro-5H-pyrrolizin-3-yl(phenyl)methanone
SMILESO=C(c1ccccc1)c1ccc2n1CCC2
InChIInChI=1S/C14H13NO/c16-14(11-5-2-1-3-6-11)13-9-8-12-7-4-10-15(12)13/h1-3,5-6,8-9H,4,7,10H2
InChIKeyDHUITNLXEMJSMU-UHFFFAOYSA-N
XLogP2.67
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-pyrrolizin-3-yl(phenyl)methanone?
The IUPAC name of 6,7-dihydro-5H-pyrrolizin-3-yl(phenyl)methanone (CID 71209516) is 6,7-dihydro-5H-pyrrolizin-3-yl(phenyl)methanone.
What is the SMILES notation for 6,7-dihydro-5H-pyrrolizin-3-yl(phenyl)methanone?
The canonical SMILES for 6,7-dihydro-5H-pyrrolizin-3-yl(phenyl)methanone is O=C(c1ccccc1)c1ccc2n1CCC2.
What is the InChIKey of 6,7-dihydro-5H-pyrrolizin-3-yl(phenyl)methanone?
The InChIKey is DHUITNLXEMJSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO/c16-14(11-5-2-1-3-6-11)13-9-8-12-7-4-10-15(12)13/h1-3,5-6,8-9H,4,7,10H2.
What are the key properties of 6,7-dihydro-5H-pyrrolizin-3-yl(phenyl)methanone?
6,7-dihydro-5H-pyrrolizin-3-yl(phenyl)methanone has a molecular weight of 211.26 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-pyrrolizin-3-yl(phenyl)methanone is sourced from PubChem (CID 71209516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).