[4,4-bis(prop-2-enyl)pyrrolidin-2-yl]methanol

C11H19NO — CID 118343079

IUPAC[4,4-bis(prop-2-enyl)pyrrolidin-2-yl]methanol
SMILESC=CCC1(CC=C)CNC(CO)C1
InChIInChI=1S/C11H19NO/c1-3-5-11(6-4-2)7-10(8-13)12-9-11/h3-4,10,12-13H,1-2,5-9H2
InChIKeyLMPQNTLHQARUFV-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.48
Rot. Bonds5

About [4,4-bis(prop-2-enyl)pyrrolidin-2-yl]methanol

[4,4-bis(prop-2-enyl)pyrrolidin-2-yl]methanol (PubChem CID 118343079) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is [4,4-bis(prop-2-enyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[4,4-bis(prop-2-enyl)pyrrolidin-2-yl]methanol
PubChem CID118343079
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name[4,4-bis(prop-2-enyl)pyrrolidin-2-yl]methanol
SMILESC=CCC1(CC=C)CNC(CO)C1
InChIInChI=1S/C11H19NO/c1-3-5-11(6-4-2)7-10(8-13)12-9-11/h3-4,10,12-13H,1-2,5-9H2
InChIKeyLMPQNTLHQARUFV-UHFFFAOYSA-N
XLogP1.48
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.48
H-Bond Donors ≤ 52
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 [4,4-bis(prop-2-enyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [4,4-bis(prop-2-enyl)pyrrolidin-2-yl]methanol (CID 118343079) is [4,4-bis(prop-2-enyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [4,4-bis(prop-2-enyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [4,4-bis(prop-2-enyl)pyrrolidin-2-yl]methanol is C=CCC1(CC=C)CNC(CO)C1.
What is the InChIKey of [4,4-bis(prop-2-enyl)pyrrolidin-2-yl]methanol?
The InChIKey is LMPQNTLHQARUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-3-5-11(6-4-2)7-10(8-13)12-9-11/h3-4,10,12-13H,1-2,5-9H2.
What are the key properties of [4,4-bis(prop-2-enyl)pyrrolidin-2-yl]methanol?
[4,4-bis(prop-2-enyl)pyrrolidin-2-yl]methanol has a molecular weight of 181.28 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4,4-bis(prop-2-enyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 118343079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).