(7-hydroxy-6,7-dihydro-5H-pyrrolizin-3-yl)-phenylmethanone

C14H13NO2 — CID 57357558

IUPAC(7-hydroxy-6,7-dihydro-5H-pyrrolizin-3-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc2n1CCC2O
InChIInChI=1S/C14H13NO2/c16-13-8-9-15-11(13)6-7-12(15)14(17)10-4-2-1-3-5-10/h1-7,13,16H,8-9H2
InChIKeyPPQHNULBCSHICE-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.16
Rot. Bonds2

About (7-hydroxy-6,7-dihydro-5H-pyrrolizin-3-yl)-phenylmethanone

(7-hydroxy-6,7-dihydro-5H-pyrrolizin-3-yl)-phenylmethanone (PubChem CID 57357558) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is (7-hydroxy-6,7-dihydro-5H-pyrrolizin-3-yl)-phenylmethanone.

Molecular Properties

Compound Name(7-hydroxy-6,7-dihydro-5H-pyrrolizin-3-yl)-phenylmethanone
PubChem CID57357558
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name(7-hydroxy-6,7-dihydro-5H-pyrrolizin-3-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc2n1CCC2O
InChIInChI=1S/C14H13NO2/c16-13-8-9-15-11(13)6-7-12(15)14(17)10-4-2-1-3-5-10/h1-7,13,16H,8-9H2
InChIKeyPPQHNULBCSHICE-UHFFFAOYSA-N
XLogP2.16
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 84003
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(+)-Ketorolac
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CID 6604122
Pyrrolezanthine
CID 636825
(-)-Ketorolac
CID 181817
4-Ethyl-5-phenyl-1-vinyl-1H-pyrrole-2-carboxylic acid
CID 655461
1-benzyl-1H,4H,5H,6H-cyclopenta(b)pyrrole-2-carboxylic acid
CID 10060244
5-(4-Ethyl-phenyl)-1-vinyl-1H-pyrrole-2-carboxylic acid
CID 773801
Jiangrine A
CID 101893591
5-(4-Fluorobenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
CID 12915914
5-(3-methylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
CID 13487033

Frequently Asked Questions

What is the IUPAC name of (7-hydroxy-6,7-dihydro-5H-pyrrolizin-3-yl)-phenylmethanone?
The IUPAC name of (7-hydroxy-6,7-dihydro-5H-pyrrolizin-3-yl)-phenylmethanone (CID 57357558) is (7-hydroxy-6,7-dihydro-5H-pyrrolizin-3-yl)-phenylmethanone.
What is the SMILES notation for (7-hydroxy-6,7-dihydro-5H-pyrrolizin-3-yl)-phenylmethanone?
The canonical SMILES for (7-hydroxy-6,7-dihydro-5H-pyrrolizin-3-yl)-phenylmethanone is O=C(c1ccccc1)c1ccc2n1CCC2O.
What is the InChIKey of (7-hydroxy-6,7-dihydro-5H-pyrrolizin-3-yl)-phenylmethanone?
The InChIKey is PPQHNULBCSHICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c16-13-8-9-15-11(13)6-7-12(15)14(17)10-4-2-1-3-5-10/h1-7,13,16H,8-9H2.
What are the key properties of (7-hydroxy-6,7-dihydro-5H-pyrrolizin-3-yl)-phenylmethanone?
(7-hydroxy-6,7-dihydro-5H-pyrrolizin-3-yl)-phenylmethanone has a molecular weight of 227.26 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-hydroxy-6,7-dihydro-5H-pyrrolizin-3-yl)-phenylmethanone is sourced from PubChem (CID 57357558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).