(3-methyl-1-propan-2-ylpyrrolidin-3-yl)methanol

C9H19NO — CID 83914161

IUPAC(3-methyl-1-propan-2-ylpyrrolidin-3-yl)methanol
SMILESCC(C)N1CCC(C)(CO)C1
InChIInChI=1S/C9H19NO/c1-8(2)10-5-4-9(3,6-10)7-11/h8,11H,4-7H2,1-3H3
InChIKeyXVMQDDSZYSGHSF-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.10
Rot. Bonds2

About (3-methyl-1-propan-2-ylpyrrolidin-3-yl)methanol

(3-methyl-1-propan-2-ylpyrrolidin-3-yl)methanol (PubChem CID 83914161) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (3-methyl-1-propan-2-ylpyrrolidin-3-yl)methanol.

Molecular Properties

Compound Name(3-methyl-1-propan-2-ylpyrrolidin-3-yl)methanol
PubChem CID83914161
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(3-methyl-1-propan-2-ylpyrrolidin-3-yl)methanol
SMILESCC(C)N1CCC(C)(CO)C1
InChIInChI=1S/C9H19NO/c1-8(2)10-5-4-9(3,6-10)7-11/h8,11H,4-7H2,1-3H3
InChIKeyXVMQDDSZYSGHSF-UHFFFAOYSA-N
XLogP1.10
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-1-propan-2-ylpyrrolidin-3-yl)methanol?
The IUPAC name of (3-methyl-1-propan-2-ylpyrrolidin-3-yl)methanol (CID 83914161) is (3-methyl-1-propan-2-ylpyrrolidin-3-yl)methanol.
What is the SMILES notation for (3-methyl-1-propan-2-ylpyrrolidin-3-yl)methanol?
The canonical SMILES for (3-methyl-1-propan-2-ylpyrrolidin-3-yl)methanol is CC(C)N1CCC(C)(CO)C1.
What is the InChIKey of (3-methyl-1-propan-2-ylpyrrolidin-3-yl)methanol?
The InChIKey is XVMQDDSZYSGHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-8(2)10-5-4-9(3,6-10)7-11/h8,11H,4-7H2,1-3H3.
What are the key properties of (3-methyl-1-propan-2-ylpyrrolidin-3-yl)methanol?
(3-methyl-1-propan-2-ylpyrrolidin-3-yl)methanol has a molecular weight of 157.26 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1-propan-2-ylpyrrolidin-3-yl)methanol is sourced from PubChem (CID 83914161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).