(4,4-dimethylpyrrolidin-2-yl)methanol

C7H15NO — CID 55299054

IUPAC(4,4-dimethylpyrrolidin-2-yl)methanol
SMILESCC1(C)CNC(CO)C1
InChIInChI=1S/C7H15NO/c1-7(2)3-6(4-9)8-5-7/h6,8-9H,3-5H2,1-2H3
InChIKeyDJIQDHXAMYMRRC-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.37
Rot. Bonds1

About (4,4-dimethylpyrrolidin-2-yl)methanol

(4,4-dimethylpyrrolidin-2-yl)methanol (PubChem CID 55299054) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is (4,4-dimethylpyrrolidin-2-yl)methanol.

Molecular Properties

Compound Name(4,4-dimethylpyrrolidin-2-yl)methanol
PubChem CID55299054
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name(4,4-dimethylpyrrolidin-2-yl)methanol
SMILESCC1(C)CNC(CO)C1
InChIInChI=1S/C7H15NO/c1-7(2)3-6(4-9)8-5-7/h6,8-9H,3-5H2,1-2H3
InChIKeyDJIQDHXAMYMRRC-UHFFFAOYSA-N
XLogP0.37
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

L-Prolinol
CID 640091
Prolinol, (R)-
CID 2724541
Prolinol
CID 90908
(2-Ethylpyrrolidin-2-yl)methanol
CID 51072279
2-Methyl-2-pyrrolidinemethanol
CID 558401
((2S)-2-methylpyrrolidin-2-yl)methanol
CID 14223700
(3-Methylpyrrolidin-2-yl)methanol
CID 19822527
(2-(Hydroxymethyl)pyrrolidin-2-yl)methanol
CID 55287598
(5,5-Dimethylpyrrolidin-2-yl)methanol
CID 70516119
[(2S)-4,4-dimethylpyrrolidin-2-yl]methanol hydrochloride
CID 71741606
((2R)-2-methylpyrrolidin-2-yl)methanol hydrochloride
CID 91825932
[(2S,4S)-4-methylpyrrolidin-2-yl]methanol hydrochloride
CID 118798391

Frequently Asked Questions

What is the IUPAC name of (4,4-dimethylpyrrolidin-2-yl)methanol?
The IUPAC name of (4,4-dimethylpyrrolidin-2-yl)methanol (CID 55299054) is (4,4-dimethylpyrrolidin-2-yl)methanol.
What is the SMILES notation for (4,4-dimethylpyrrolidin-2-yl)methanol?
The canonical SMILES for (4,4-dimethylpyrrolidin-2-yl)methanol is CC1(C)CNC(CO)C1.
What is the InChIKey of (4,4-dimethylpyrrolidin-2-yl)methanol?
The InChIKey is DJIQDHXAMYMRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-7(2)3-6(4-9)8-5-7/h6,8-9H,3-5H2,1-2H3.
What are the key properties of (4,4-dimethylpyrrolidin-2-yl)methanol?
(4,4-dimethylpyrrolidin-2-yl)methanol has a molecular weight of 129.20 g/mol, XLogP of 0.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethylpyrrolidin-2-yl)methanol is sourced from PubChem (CID 55299054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).