5-phenylmethoxy-2,3-dihydro-1H-pyrrole

C11H13NO — CID 141242168

IUPAC5-phenylmethoxy-2,3-dihydro-1H-pyrrole
SMILESC1=C(OCc2ccccc2)NCC1
InChIInChI=1S/C11H13NO/c1-2-5-10(6-3-1)9-13-11-7-4-8-12-11/h1-3,5-7,12H,4,8-9H2
InChIKeyDCJZWWVWEVBBNW-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.04
Rot. Bonds3

About 5-phenylmethoxy-2,3-dihydro-1H-pyrrole

5-phenylmethoxy-2,3-dihydro-1H-pyrrole (PubChem CID 141242168) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 5-phenylmethoxy-2,3-dihydro-1H-pyrrole.

Molecular Properties

Compound Name5-phenylmethoxy-2,3-dihydro-1H-pyrrole
PubChem CID141242168
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name5-phenylmethoxy-2,3-dihydro-1H-pyrrole
SMILESC1=C(OCc2ccccc2)NCC1
InChIInChI=1S/C11H13NO/c1-2-5-10(6-3-1)9-13-11-7-4-8-12-11/h1-3,5-7,12H,4,8-9H2
InChIKeyDCJZWWVWEVBBNW-UHFFFAOYSA-N
XLogP2.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-phenylmethoxy-2,3-dihydro-1H-pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-phenylmethoxy-1,2-dihydropyridine-4-sulfinate
CID 163872329
2-bromo-7-phenylmethoxycyclohepta-2,6-dien-1-one
CID 156728965
6-phenylmethoxy-2,3-dihydro-1H-indole
CID 18932839
6-phenylmethoxy-4H-1,3-dioxine
CID 174881803
2,3-bis(phenylmethoxy)cyclohexa-1,3-diene-1-carbaldehyde
CID 123279027
4-fluoro-5-phenylmethoxy-2,3-dihydro-1H-indole
CID 133056207
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
3,6-bis(phenylmethoxy)pyridazine
CID 68982842
2,3,6,7,10,11-hexakis(phenylmethoxy)triphenylene
CID 11040205
2-(2-phenylmethoxyphenyl)azetidine
CID 130043680
5-methyl-6-phenylmethoxy-1H-pyrimidin-2-one
CID 18959450
1-(cyclobuten-1-yl)-3-phenylmethoxybenzene
CID 102186387

Frequently Asked Questions

What is the IUPAC name of 5-phenylmethoxy-2,3-dihydro-1H-pyrrole?
The IUPAC name of 5-phenylmethoxy-2,3-dihydro-1H-pyrrole (CID 141242168) is 5-phenylmethoxy-2,3-dihydro-1H-pyrrole.
What is the SMILES notation for 5-phenylmethoxy-2,3-dihydro-1H-pyrrole?
The canonical SMILES for 5-phenylmethoxy-2,3-dihydro-1H-pyrrole is C1=C(OCc2ccccc2)NCC1.
What is the InChIKey of 5-phenylmethoxy-2,3-dihydro-1H-pyrrole?
The InChIKey is DCJZWWVWEVBBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-2-5-10(6-3-1)9-13-11-7-4-8-12-11/h1-3,5-7,12H,4,8-9H2.
What are the key properties of 5-phenylmethoxy-2,3-dihydro-1H-pyrrole?
5-phenylmethoxy-2,3-dihydro-1H-pyrrole has a molecular weight of 175.23 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylmethoxy-2,3-dihydro-1H-pyrrole is sourced from PubChem (CID 141242168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).