[(2S)-4,5-dimethyl-2,3-dihydro-1H-pyrrol-2-yl]methanol

C7H13NO — CID 91105522

IUPAC[(2S)-4,5-dimethyl-2,3-dihydro-1H-pyrrol-2-yl]methanol
SMILESCC1=C(C)N[C@H](CO)C1
InChIInChI=1S/C7H13NO/c1-5-3-7(4-9)8-6(5)2/h7-9H,3-4H2,1-2H3/t7-/m0/s1
InChIKeyAFZPESIXYYSWFD-ZETCQYMHSA-N
MW127.19 g/mol
LogP0.63
Rot. Bonds1

About [(2S)-4,5-dimethyl-2,3-dihydro-1H-pyrrol-2-yl]methanol

[(2S)-4,5-dimethyl-2,3-dihydro-1H-pyrrol-2-yl]methanol (PubChem CID 91105522) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is [(2S)-4,5-dimethyl-2,3-dihydro-1H-pyrrol-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-4,5-dimethyl-2,3-dihydro-1H-pyrrol-2-yl]methanol
PubChem CID91105522
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name[(2S)-4,5-dimethyl-2,3-dihydro-1H-pyrrol-2-yl]methanol
SMILESCC1=C(C)N[C@H](CO)C1
InChIInChI=1S/C7H13NO/c1-5-3-7(4-9)8-6(5)2/h7-9H,3-4H2,1-2H3/t7-/m0/s1
InChIKeyAFZPESIXYYSWFD-ZETCQYMHSA-N
XLogP0.63
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 ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S)-4,5-dimethyl-2,3-dihydro-1H-pyrrol-2-yl]methanol?
The IUPAC name of [(2S)-4,5-dimethyl-2,3-dihydro-1H-pyrrol-2-yl]methanol (CID 91105522) is [(2S)-4,5-dimethyl-2,3-dihydro-1H-pyrrol-2-yl]methanol.
What is the SMILES notation for [(2S)-4,5-dimethyl-2,3-dihydro-1H-pyrrol-2-yl]methanol?
The canonical SMILES for [(2S)-4,5-dimethyl-2,3-dihydro-1H-pyrrol-2-yl]methanol is CC1=C(C)N[C@H](CO)C1.
What is the InChIKey of [(2S)-4,5-dimethyl-2,3-dihydro-1H-pyrrol-2-yl]methanol?
The InChIKey is AFZPESIXYYSWFD-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H13NO/c1-5-3-7(4-9)8-6(5)2/h7-9H,3-4H2,1-2H3/t7-/m0/s1.
What are the key properties of [(2S)-4,5-dimethyl-2,3-dihydro-1H-pyrrol-2-yl]methanol?
[(2S)-4,5-dimethyl-2,3-dihydro-1H-pyrrol-2-yl]methanol has a molecular weight of 127.19 g/mol, XLogP of 0.63, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4,5-dimethyl-2,3-dihydro-1H-pyrrol-2-yl]methanol is sourced from PubChem (CID 91105522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).