(3-methyl-5-undecyl-1,2-dihydropyrrol-3-yl)methanol

C17H33NO — CID 141262181

IUPAC(3-methyl-5-undecyl-1,2-dihydropyrrol-3-yl)methanol
SMILESCCCCCCCCCCCC1=CC(C)(CO)CN1
InChIInChI=1S/C17H33NO/c1-3-4-5-6-7-8-9-10-11-12-16-13-17(2,15-19)14-18-16/h13,18-19H,3-12,14-15H2,1-2H3
InChIKeySBVXERLPQHXJLL-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.39
Rot. Bonds11

About (3-methyl-5-undecyl-1,2-dihydropyrrol-3-yl)methanol

(3-methyl-5-undecyl-1,2-dihydropyrrol-3-yl)methanol (PubChem CID 141262181) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is (3-methyl-5-undecyl-1,2-dihydropyrrol-3-yl)methanol.

Molecular Properties

Compound Name(3-methyl-5-undecyl-1,2-dihydropyrrol-3-yl)methanol
PubChem CID141262181
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name(3-methyl-5-undecyl-1,2-dihydropyrrol-3-yl)methanol
SMILESCCCCCCCCCCCC1=CC(C)(CO)CN1
InChIInChI=1S/C17H33NO/c1-3-4-5-6-7-8-9-10-11-12-16-13-17(2,15-19)14-18-16/h13,18-19H,3-12,14-15H2,1-2H3
InChIKeySBVXERLPQHXJLL-UHFFFAOYSA-N
XLogP4.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-5-undecyl-1,2-dihydropyrrol-3-yl)methanol?
The IUPAC name of (3-methyl-5-undecyl-1,2-dihydropyrrol-3-yl)methanol (CID 141262181) is (3-methyl-5-undecyl-1,2-dihydropyrrol-3-yl)methanol.
What is the SMILES notation for (3-methyl-5-undecyl-1,2-dihydropyrrol-3-yl)methanol?
The canonical SMILES for (3-methyl-5-undecyl-1,2-dihydropyrrol-3-yl)methanol is CCCCCCCCCCCC1=CC(C)(CO)CN1.
What is the InChIKey of (3-methyl-5-undecyl-1,2-dihydropyrrol-3-yl)methanol?
The InChIKey is SBVXERLPQHXJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-3-4-5-6-7-8-9-10-11-12-16-13-17(2,15-19)14-18-16/h13,18-19H,3-12,14-15H2,1-2H3.
What are the key properties of (3-methyl-5-undecyl-1,2-dihydropyrrol-3-yl)methanol?
(3-methyl-5-undecyl-1,2-dihydropyrrol-3-yl)methanol has a molecular weight of 267.46 g/mol, XLogP of 4.39, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-5-undecyl-1,2-dihydropyrrol-3-yl)methanol is sourced from PubChem (CID 141262181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).