(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'}

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Related Compounds

2,5-dihydro-1H-pyrrol-2-ylmethanol
CID 51072180
[(2R)-4-fluoro-2,5-dihydro-1H-pyrrol-2-yl]methanol
CID 169101018
2-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]propan-1-ol
CID 13492930
2-(Propylamino)but-3-en-1-ol
CID 21713284
[(2R)-2,5-dihydro-1H-pyrrol-2-yl]methanol
CID 52376249
[(2S)-2,5-dihydro-1H-pyrrol-2-yl]methanol
CID 52376251
2-(3,7-Dimethylocta-2,6-dienylamino)propan-1-ol
CID 54199179
(4-methyl-2,5-dihydro-1H-pyrrol-2-yl)methanol
CID 58782012
[(2R)-4-methyl-2,5-dihydro-1H-pyrrol-2-yl]methanol
CID 89225272
(E,2S)-2-(methylamino)hex-3-en-1-ol
CID 90058656
(Z,2R)-2-(methylamino)hex-3-en-1-ol
CID 90058780
(E,2R)-2-(methylamino)hex-3-en-1-ol
CID 90058783

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).