2-methyl-1-[1-(4-methylpentyl)pyrrol-3-yl]propan-1-ol

C14H25NO — CID 83158832

IUPAC2-methyl-1-[1-(4-methylpentyl)pyrrol-3-yl]propan-1-ol
SMILESCC(C)CCCn1ccc(C(O)C(C)C)c1
InChIInChI=1S/C14H25NO/c1-11(2)6-5-8-15-9-7-13(10-15)14(16)12(3)4/h7,9-12,14,16H,5-6,8H2,1-4H3
InChIKeyBBEYBXFTHWXITK-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.61
Rot. Bonds6

About 2-methyl-1-[1-(4-methylpentyl)pyrrol-3-yl]propan-1-ol

2-methyl-1-[1-(4-methylpentyl)pyrrol-3-yl]propan-1-ol (PubChem CID 83158832) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-methyl-1-[1-(4-methylpentyl)pyrrol-3-yl]propan-1-ol.

Molecular Properties

Compound Name2-methyl-1-[1-(4-methylpentyl)pyrrol-3-yl]propan-1-ol
PubChem CID83158832
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name2-methyl-1-[1-(4-methylpentyl)pyrrol-3-yl]propan-1-ol
SMILESCC(C)CCCn1ccc(C(O)C(C)C)c1
InChIInChI=1S/C14H25NO/c1-11(2)6-5-8-15-9-7-13(10-15)14(16)12(3)4/h7,9-12,14,16H,5-6,8H2,1-4H3
InChIKeyBBEYBXFTHWXITK-UHFFFAOYSA-N
XLogP3.61
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-[1-(2-methylpropyl)pyrrol-3-yl]propan-1-ol
CID 79097185
1-[1-(2-methoxyethyl)pyrrol-3-yl]-2-methylpropan-1-ol
CID 79097770
2-methyl-1-[1-(2-pyrrolidin-1-ylethyl)pyrrol-3-yl]propan-1-ol
CID 79096939
2-methyl-1-[1-[2-(2-methylimidazol-1-yl)ethyl]pyrrol-3-yl]propan-1-ol
CID 79096945
1-[2-[3-(1-hydroxy-2-methylpropyl)pyrrol-1-yl]ethyl]pyridin-2-one
CID 82907186
3-[3-(1-hydroxy-2-methylpropyl)pyrrol-1-yl]-N,N-dimethylpropanamide
CID 79097273
methyl 3-[3-(1-hydroxy-2-methylpropyl)pyrrol-1-yl]propanoate
CID 79097942
3-[3-(1-hydroxyethyl)pyrrol-1-yl]propan-1-ol
CID 79107179
1-[1-(2-bromoprop-2-enyl)pyrrol-3-yl]-2-methylpropan-1-ol
CID 79097013
2-methyl-1-[1-(2-pyridin-2-ylethyl)pyrrol-3-yl]propan-1-ol
CID 79097183
1-[1-[(4-chlorophenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-ol
CID 79097426
2-methyl-1-[1-(pyrimidin-2-ylmethyl)pyrrol-3-yl]propan-1-ol
CID 79098041

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[1-(4-methylpentyl)pyrrol-3-yl]propan-1-ol?
The IUPAC name of 2-methyl-1-[1-(4-methylpentyl)pyrrol-3-yl]propan-1-ol (CID 83158832) is 2-methyl-1-[1-(4-methylpentyl)pyrrol-3-yl]propan-1-ol.
What is the SMILES notation for 2-methyl-1-[1-(4-methylpentyl)pyrrol-3-yl]propan-1-ol?
The canonical SMILES for 2-methyl-1-[1-(4-methylpentyl)pyrrol-3-yl]propan-1-ol is CC(C)CCCn1ccc(C(O)C(C)C)c1.
What is the InChIKey of 2-methyl-1-[1-(4-methylpentyl)pyrrol-3-yl]propan-1-ol?
The InChIKey is BBEYBXFTHWXITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-11(2)6-5-8-15-9-7-13(10-15)14(16)12(3)4/h7,9-12,14,16H,5-6,8H2,1-4H3.
What are the key properties of 2-methyl-1-[1-(4-methylpentyl)pyrrol-3-yl]propan-1-ol?
2-methyl-1-[1-(4-methylpentyl)pyrrol-3-yl]propan-1-ol has a molecular weight of 223.36 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[1-(4-methylpentyl)pyrrol-3-yl]propan-1-ol is sourced from PubChem (CID 83158832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).