1-(2-methylidenebutyl)pyrrolidin-3-ol

C9H17NO — CID 66039020

IUPAC1-(2-methylidenebutyl)pyrrolidin-3-ol
SMILESC=C(CC)CN1CCC(O)C1
InChIInChI=1S/C9H17NO/c1-3-8(2)6-10-5-4-9(11)7-10/h9,11H,2-7H2,1H3
InChIKeyCCPKPZSUJVGLEI-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.02
Rot. Bonds3

About 1-(2-methylidenebutyl)pyrrolidin-3-ol

1-(2-methylidenebutyl)pyrrolidin-3-ol (PubChem CID 66039020) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-(2-methylidenebutyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(2-methylidenebutyl)pyrrolidin-3-ol
PubChem CID66039020
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-(2-methylidenebutyl)pyrrolidin-3-ol
SMILESC=C(CC)CN1CCC(O)C1
InChIInChI=1S/C9H17NO/c1-3-8(2)6-10-5-4-9(11)7-10/h9,11H,2-7H2,1H3
InChIKeyCCPKPZSUJVGLEI-UHFFFAOYSA-N
XLogP1.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylidenebutyl)pyrrolidin-3-ol?
The IUPAC name of 1-(2-methylidenebutyl)pyrrolidin-3-ol (CID 66039020) is 1-(2-methylidenebutyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(2-methylidenebutyl)pyrrolidin-3-ol?
The canonical SMILES for 1-(2-methylidenebutyl)pyrrolidin-3-ol is C=C(CC)CN1CCC(O)C1.
What is the InChIKey of 1-(2-methylidenebutyl)pyrrolidin-3-ol?
The InChIKey is CCPKPZSUJVGLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-8(2)6-10-5-4-9(11)7-10/h9,11H,2-7H2,1H3.
What are the key properties of 1-(2-methylidenebutyl)pyrrolidin-3-ol?
1-(2-methylidenebutyl)pyrrolidin-3-ol has a molecular weight of 155.24 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylidenebutyl)pyrrolidin-3-ol is sourced from PubChem (CID 66039020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).