(4,5-dimethyl-2,5-dihydro-1H-pyrrol-2-yl)methanol

C7H13NO — CID 20805127

IUPAC(4,5-dimethyl-2,5-dihydro-1H-pyrrol-2-yl)methanol
SMILESCC1=CC(CO)NC1C
InChIInChI=1S/C7H13NO/c1-5-3-7(4-9)8-6(5)2/h3,6-9H,4H2,1-2H3
InChIKeyMCTPQTPAYHUHBM-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.29
Rot. Bonds1

About (4,5-dimethyl-2,5-dihydro-1H-pyrrol-2-yl)methanol

(4,5-dimethyl-2,5-dihydro-1H-pyrrol-2-yl)methanol (PubChem CID 20805127) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (4,5-dimethyl-2,5-dihydro-1H-pyrrol-2-yl)methanol.

Molecular Properties

Compound Name(4,5-dimethyl-2,5-dihydro-1H-pyrrol-2-yl)methanol
PubChem CID20805127
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(4,5-dimethyl-2,5-dihydro-1H-pyrrol-2-yl)methanol
SMILESCC1=CC(CO)NC1C
InChIInChI=1S/C7H13NO/c1-5-3-7(4-9)8-6(5)2/h3,6-9H,4H2,1-2H3
InChIKeyMCTPQTPAYHUHBM-UHFFFAOYSA-N
XLogP0.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4,5-dimethyl-2,5-dihydro-1H-pyrrol-2-yl)methanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4,5-dimethyl-2,5-dihydro-1H-pyrrol-2-yl)methanol?
The IUPAC name of (4,5-dimethyl-2,5-dihydro-1H-pyrrol-2-yl)methanol (CID 20805127) is (4,5-dimethyl-2,5-dihydro-1H-pyrrol-2-yl)methanol.
What is the SMILES notation for (4,5-dimethyl-2,5-dihydro-1H-pyrrol-2-yl)methanol?
The canonical SMILES for (4,5-dimethyl-2,5-dihydro-1H-pyrrol-2-yl)methanol is CC1=CC(CO)NC1C.
What is the InChIKey of (4,5-dimethyl-2,5-dihydro-1H-pyrrol-2-yl)methanol?
The InChIKey is MCTPQTPAYHUHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-5-3-7(4-9)8-6(5)2/h3,6-9H,4H2,1-2H3.
What are the key properties of (4,5-dimethyl-2,5-dihydro-1H-pyrrol-2-yl)methanol?
(4,5-dimethyl-2,5-dihydro-1H-pyrrol-2-yl)methanol has a molecular weight of 127.19 g/mol, XLogP of 0.29, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethyl-2,5-dihydro-1H-pyrrol-2-yl)methanol is sourced from PubChem (CID 20805127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).