ethane;(1-methylpyrrolidin-3-yl)methanol

C8H19NO — CID 91267134

IUPACethane;(1-methylpyrrolidin-3-yl)methanol
SMILESCC.CN1CCC(CO)C1
InChIInChI=1S/C6H13NO.C2H6/c1-7-3-2-6(4-7)5-8;1-2/h6,8H,2-5H2,1H3;1-2H3
InChIKeyIAHJQSVAWNQHEL-UHFFFAOYSA-N
MW145.25 g/mol
LogP0.96
Rot. Bonds1

About ethane;(1-methylpyrrolidin-3-yl)methanol

ethane;(1-methylpyrrolidin-3-yl)methanol (PubChem CID 91267134) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is ethane;(1-methylpyrrolidin-3-yl)methanol.

Molecular Properties

Compound Nameethane;(1-methylpyrrolidin-3-yl)methanol
PubChem CID91267134
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Nameethane;(1-methylpyrrolidin-3-yl)methanol
SMILESCC.CN1CCC(CO)C1
InChIInChI=1S/C6H13NO.C2H6/c1-7-3-2-6(4-7)5-8;1-2/h6,8H,2-5H2,1H3;1-2H3
InChIKeyIAHJQSVAWNQHEL-UHFFFAOYSA-N
XLogP0.96
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2-Methoxyethyl)pyrrolidin-3-yl]methanol
CID 268108
4-(Diisobutylamino)-1-butanol
CID 144414
2,2-Dimethyl-3-(Pyrrolidin-1-Yl)Propan-1-Ol
CID 268115
(1-Methylpyrrolidin-3-yl)methanol
CID 295970
4-(Pyrrolidin-1-yl)butan-1-ol
CID 13171952
(1-Isopropylpyrrolidin-3-yl)methanol
CID 16641305
(1-Ethylpyrrolidin-3-yl)methanol
CID 21702849
(1-Cyclopropylpyrrolidin-3-yl)methanol
CID 24275425
2-Methyl-3-(pyrrolidin-1-yl)propan-1-ol
CID 25219176
(1-((Pyrrolidin-1-yl)methyl)cyclopropyl)methanol
CID 66854227
1-Methylpyrrolidin-2-ol
CID 111279
N-isopentyl-3-hydroxymethylpyrrolidine
CID 10241251

Frequently Asked Questions

What is the IUPAC name of ethane;(1-methylpyrrolidin-3-yl)methanol?
The IUPAC name of ethane;(1-methylpyrrolidin-3-yl)methanol (CID 91267134) is ethane;(1-methylpyrrolidin-3-yl)methanol.
What is the SMILES notation for ethane;(1-methylpyrrolidin-3-yl)methanol?
The canonical SMILES for ethane;(1-methylpyrrolidin-3-yl)methanol is CC.CN1CCC(CO)C1.
What is the InChIKey of ethane;(1-methylpyrrolidin-3-yl)methanol?
The InChIKey is IAHJQSVAWNQHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO.C2H6/c1-7-3-2-6(4-7)5-8;1-2/h6,8H,2-5H2,1H3;1-2H3.
What are the key properties of ethane;(1-methylpyrrolidin-3-yl)methanol?
ethane;(1-methylpyrrolidin-3-yl)methanol has a molecular weight of 145.25 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(1-methylpyrrolidin-3-yl)methanol is sourced from PubChem (CID 91267134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).