1-hexan-2-ylpyrrole

C10H17N — CID 62200835

IUPAC1-hexan-2-ylpyrrole
SMILESCCCCC(C)n1cccc1
InChIInChI=1S/C10H17N/c1-3-4-7-10(2)11-8-5-6-9-11/h5-6,8-10H,3-4,7H2,1-2H3
InChIKeyVYHQLVTUZBANEK-UHFFFAOYSA-N
MW151.25 g/mol
LogP3.24
Rot. Bonds4

About 1-hexan-2-ylpyrrole

1-hexan-2-ylpyrrole (PubChem CID 62200835) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 1-hexan-2-ylpyrrole.

Molecular Properties

Compound Name1-hexan-2-ylpyrrole
PubChem CID62200835
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name1-hexan-2-ylpyrrole
SMILESCCCCC(C)n1cccc1
InChIInChI=1S/C10H17N/c1-3-4-7-10(2)11-8-5-6-9-11/h5-6,8-10H,3-4,7H2,1-2H3
InChIKeyVYHQLVTUZBANEK-UHFFFAOYSA-N
XLogP3.24
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-hexan-2-ylpyrrole 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

2-pyrrol-1-ylhexanamide
CID 175737735
N-hexan-2-ylpyrrol-1-amine
CID 79090686
1-hexan-2-yl-3-icosylimidazol-3-ium
CID 90844148
1-heptan-2-yl-3-methylimidazol-3-ium
CID 170714880
1-hexan-2-yl-3-propan-2-ylpyrazole
CID 122705387
fluoromethane;1-heptan-2-ylimidazole
CID 174715360
1-hexan-2-yl-2-pentylpyrrole
CID 71216360
1-ethyl-3-octan-2-ylimidazol-1-ium
CID 175596786
1-(4,4-difluorobutan-2-yl)pyrrole
CID 130621780
1-nonan-2-ylpyrazole
CID 121348533
1-dodecyl-3-heptan-2-ylimidazol-1-ium
CID 91113375
1-butyl-3-tetradecan-2-ylimidazol-1-ium
CID 90707933

Frequently Asked Questions

What is the IUPAC name of 1-hexan-2-ylpyrrole?
The IUPAC name of 1-hexan-2-ylpyrrole (CID 62200835) is 1-hexan-2-ylpyrrole.
What is the SMILES notation for 1-hexan-2-ylpyrrole?
The canonical SMILES for 1-hexan-2-ylpyrrole is CCCCC(C)n1cccc1.
What is the InChIKey of 1-hexan-2-ylpyrrole?
The InChIKey is VYHQLVTUZBANEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-3-4-7-10(2)11-8-5-6-9-11/h5-6,8-10H,3-4,7H2,1-2H3.
What are the key properties of 1-hexan-2-ylpyrrole?
1-hexan-2-ylpyrrole has a molecular weight of 151.25 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexan-2-ylpyrrole is sourced from PubChem (CID 62200835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).