4-(3-methylidenepyrrolidin-2-yl)butan-2-ol

C9H17NO — CID 91535218

IUPAC4-(3-methylidenepyrrolidin-2-yl)butan-2-ol
SMILESC=C1CCNC1CCC(C)O
InChIInChI=1S/C9H17NO/c1-7-5-6-10-9(7)4-3-8(2)11/h8-11H,1,3-6H2,2H3
InChIKeyXSVXUXGPOZQNDR-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.07
Rot. Bonds3

About 4-(3-methylidenepyrrolidin-2-yl)butan-2-ol

4-(3-methylidenepyrrolidin-2-yl)butan-2-ol (PubChem CID 91535218) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 4-(3-methylidenepyrrolidin-2-yl)butan-2-ol.

Molecular Properties

Compound Name4-(3-methylidenepyrrolidin-2-yl)butan-2-ol
PubChem CID91535218
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name4-(3-methylidenepyrrolidin-2-yl)butan-2-ol
SMILESC=C1CCNC1CCC(C)O
InChIInChI=1S/C9H17NO/c1-7-5-6-10-9(7)4-3-8(2)11/h8-11H,1,3-6H2,2H3
InChIKeyXSVXUXGPOZQNDR-UHFFFAOYSA-N
XLogP1.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(3-methylidenepyrrolidin-2-yl)butan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2s)-Pyrrolidin-2-yl)-3-buten-1-ol
CID 11423649
(2R)-5-(methylamino)non-8-en-2-ol
CID 89375614
(2R)-5-amino-6-methylideneoctan-2-ol;ethane
CID 145401106
3-Pyrrolidin-2-ylbut-3-en-1-ol
CID 72956246
N-ethyl-3-methyl-1-(oxolan-2-yl)but-3-en-2-amine
CID 79189518
3-methyl-1-(oxolan-2-yl)-N-propylbut-3-en-2-amine
CID 79189624
3-[1-[2-[(Propan-2-ylamino)methyl]prop-2-enyl]pyrrolidin-2-yl]propan-1-ol
CID 103070347
3-[1-[2-(Ethylaminomethyl)prop-2-enyl]pyrrolidin-2-yl]propan-1-ol
CID 103070348
5-methyl-1-(oxolan-2-yl)-N-propylhex-5-en-3-amine
CID 105003797
N-ethyl-5-methyl-1-(oxolan-2-yl)hex-5-en-3-amine
CID 105003890
N,5-dimethyl-1-(oxolan-2-yl)hex-5-en-3-amine
CID 105003891
2-methyl-5-(oxolan-2-yl)-N-propylpent-1-en-3-amine
CID 105005064

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylidenepyrrolidin-2-yl)butan-2-ol?
The IUPAC name of 4-(3-methylidenepyrrolidin-2-yl)butan-2-ol (CID 91535218) is 4-(3-methylidenepyrrolidin-2-yl)butan-2-ol.
What is the SMILES notation for 4-(3-methylidenepyrrolidin-2-yl)butan-2-ol?
The canonical SMILES for 4-(3-methylidenepyrrolidin-2-yl)butan-2-ol is C=C1CCNC1CCC(C)O.
What is the InChIKey of 4-(3-methylidenepyrrolidin-2-yl)butan-2-ol?
The InChIKey is XSVXUXGPOZQNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-7-5-6-10-9(7)4-3-8(2)11/h8-11H,1,3-6H2,2H3.
What are the key properties of 4-(3-methylidenepyrrolidin-2-yl)butan-2-ol?
4-(3-methylidenepyrrolidin-2-yl)butan-2-ol has a molecular weight of 155.24 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylidenepyrrolidin-2-yl)butan-2-ol is sourced from PubChem (CID 91535218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).