1-methyl-4-methylidenepyrrolidin-3-ol

C6H11NO — CID 59878520

IUPAC1-methyl-4-methylidenepyrrolidin-3-ol
SMILESC=C1CN(C)CC1O
InChIInChI=1S/C6H11NO/c1-5-3-7(2)4-6(5)8/h6,8H,1,3-4H2,2H3
InChIKeyOBACBUJUVNHFII-UHFFFAOYSA-N
MW113.16 g/mol
LogP-0.15
Rot. Bonds

About 1-methyl-4-methylidenepyrrolidin-3-ol

1-methyl-4-methylidenepyrrolidin-3-ol (PubChem CID 59878520) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 1-methyl-4-methylidenepyrrolidin-3-ol.

Molecular Properties

Compound Name1-methyl-4-methylidenepyrrolidin-3-ol
PubChem CID59878520
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name1-methyl-4-methylidenepyrrolidin-3-ol
SMILESC=C1CN(C)CC1O
InChIInChI=1S/C6H11NO/c1-5-3-7(2)4-6(5)8/h6,8H,1,3-4H2,2H3
InChIKeyOBACBUJUVNHFII-UHFFFAOYSA-N
XLogP-0.15
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 5-0.15
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-methyl-4-methylidenepyrrolidin-3-ol?
The IUPAC name of 1-methyl-4-methylidenepyrrolidin-3-ol (CID 59878520) is 1-methyl-4-methylidenepyrrolidin-3-ol.
What is the SMILES notation for 1-methyl-4-methylidenepyrrolidin-3-ol?
The canonical SMILES for 1-methyl-4-methylidenepyrrolidin-3-ol is C=C1CN(C)CC1O.
What is the InChIKey of 1-methyl-4-methylidenepyrrolidin-3-ol?
The InChIKey is OBACBUJUVNHFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-5-3-7(2)4-6(5)8/h6,8H,1,3-4H2,2H3.
What are the key properties of 1-methyl-4-methylidenepyrrolidin-3-ol?
1-methyl-4-methylidenepyrrolidin-3-ol has a molecular weight of 113.16 g/mol, XLogP of -0.15, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-methylidenepyrrolidin-3-ol is sourced from PubChem (CID 59878520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).