[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methanol

C9H19NO — CID 42258701

IUPAC[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methanol
SMILESCC(C)CN1CC[C@@H](CO)C1
InChIInChI=1S/C9H19NO/c1-8(2)5-10-4-3-9(6-10)7-11/h8-9,11H,3-7H2,1-2H3/t9-/m1/s1
InChIKeyONWDHDUWKQHHCA-SECBINFHSA-N
MW157.26 g/mol
LogP0.96
Rot. Bonds3

About [(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methanol

[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methanol (PubChem CID 42258701) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is [(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methanol
PubChem CID42258701
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methanol
SMILESCC(C)CN1CC[C@@H](CO)C1
InChIInChI=1S/C9H19NO/c1-8(2)5-10-4-3-9(6-10)7-11/h8-9,11H,3-7H2,1-2H3/t9-/m1/s1
InChIKeyONWDHDUWKQHHCA-SECBINFHSA-N
XLogP0.96
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methanol (CID 42258701) is [(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methanol is CC(C)CN1CC[C@@H](CO)C1.
What is the InChIKey of [(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methanol?
The InChIKey is ONWDHDUWKQHHCA-SECBINFHSA-N. The full InChI is InChI=1S/C9H19NO/c1-8(2)5-10-4-3-9(6-10)7-11/h8-9,11H,3-7H2,1-2H3/t9-/m1/s1.
What are the key properties of [(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methanol?
[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methanol has a molecular weight of 157.26 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 42258701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).