2-[1-(furan-2-yl)propyl]-1H-pyrrole

C11H13NO — CID 91378495

IUPAC2-[1-(furan-2-yl)propyl]-1H-pyrrole
SMILESCCC(c1ccc[nH]1)c1ccco1
InChIInChI=1S/C11H13NO/c1-2-9(10-5-3-7-12-10)11-6-4-8-13-11/h3-9,12H,2H2,1H3
InChIKeyDQIZMWCZAOYZGG-UHFFFAOYSA-N
MW175.23 g/mol
LogP3.15
Rot. Bonds3

About 2-[1-(furan-2-yl)propyl]-1H-pyrrole

2-[1-(furan-2-yl)propyl]-1H-pyrrole (PubChem CID 91378495) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-[1-(furan-2-yl)propyl]-1H-pyrrole.

Molecular Properties

Compound Name2-[1-(furan-2-yl)propyl]-1H-pyrrole
PubChem CID91378495
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name2-[1-(furan-2-yl)propyl]-1H-pyrrole
SMILESCCC(c1ccc[nH]1)c1ccco1
InChIInChI=1S/C11H13NO/c1-2-9(10-5-3-7-12-10)11-6-4-8-13-11/h3-9,12H,2H2,1H3
InChIKeyDQIZMWCZAOYZGG-UHFFFAOYSA-N
XLogP3.15
TPSA28.93 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[1-(furan-2-yl)propyl]-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

(1S)-1-(1H-pyrrol-2-yl)propan-1-ol
CID 78962664
1-(furan-2-yl)propane-1-thiol
CID 62631809
2-(1-phenylbutan-2-yl)-1H-pyrrole
CID 57270402
2-hexan-3-yl-1H-pyrrole
CID 91299490
2-[1-[3-(trifluoromethyl)phenyl]propyl]-1H-pyrrole
CID 90932009
(1S)-1-(furan-2-yl)propan-1-amine;hydrochloride
CID 11615221
2-butan-2-yl-1H-pyrrole tetrafluoroborate
CID 161282089
2-[2-(1H-pyrrol-2-yl)butan-2-yl]-5-[1-(1H-pyrrol-2-yl)propyl]-1H-pyrrole
CID 170115317
acetylene;(1S)-1-(furan-2-yl)propan-1-ol
CID 143788269
1-(1H-pyrrol-2-yl)butan-1-ol
CID 57024972
(1S)-1-(1H-pyrrol-2-yl)butan-1-amine
CID 96637438
2-amino-2-(furan-2-yl)ethanol
CID 54048773

Frequently Asked Questions

What is the IUPAC name of 2-[1-(furan-2-yl)propyl]-1H-pyrrole?
The IUPAC name of 2-[1-(furan-2-yl)propyl]-1H-pyrrole (CID 91378495) is 2-[1-(furan-2-yl)propyl]-1H-pyrrole.
What is the SMILES notation for 2-[1-(furan-2-yl)propyl]-1H-pyrrole?
The canonical SMILES for 2-[1-(furan-2-yl)propyl]-1H-pyrrole is CCC(c1ccc[nH]1)c1ccco1.
What is the InChIKey of 2-[1-(furan-2-yl)propyl]-1H-pyrrole?
The InChIKey is DQIZMWCZAOYZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-2-9(10-5-3-7-12-10)11-6-4-8-13-11/h3-9,12H,2H2,1H3.
What are the key properties of 2-[1-(furan-2-yl)propyl]-1H-pyrrole?
2-[1-(furan-2-yl)propyl]-1H-pyrrole has a molecular weight of 175.23 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(furan-2-yl)propyl]-1H-pyrrole is sourced from PubChem (CID 91378495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).