1-(3-methylidenepyrrolidin-1-yl)propan-1-ol

C8H15NO — CID 143146649

IUPAC1-(3-methylidenepyrrolidin-1-yl)propan-1-ol
SMILESC=C1CCN(C(O)CC)C1
InChIInChI=1S/C8H15NO/c1-3-8(10)9-5-4-7(2)6-9/h8,10H,2-6H2,1H3
InChIKeyISVWBIOEKGDKHP-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.98
Rot. Bonds2

About 1-(3-methylidenepyrrolidin-1-yl)propan-1-ol

1-(3-methylidenepyrrolidin-1-yl)propan-1-ol (PubChem CID 143146649) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 1-(3-methylidenepyrrolidin-1-yl)propan-1-ol.

Molecular Properties

Compound Name1-(3-methylidenepyrrolidin-1-yl)propan-1-ol
PubChem CID143146649
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name1-(3-methylidenepyrrolidin-1-yl)propan-1-ol
SMILESC=C1CCN(C(O)CC)C1
InChIInChI=1S/C8H15NO/c1-3-8(10)9-5-4-7(2)6-9/h8,10H,2-6H2,1H3
InChIKeyISVWBIOEKGDKHP-UHFFFAOYSA-N
XLogP0.98
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.98
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-(3-methylidenepyrrolidin-1-yl)propan-1-ol?
The IUPAC name of 1-(3-methylidenepyrrolidin-1-yl)propan-1-ol (CID 143146649) is 1-(3-methylidenepyrrolidin-1-yl)propan-1-ol.
What is the SMILES notation for 1-(3-methylidenepyrrolidin-1-yl)propan-1-ol?
The canonical SMILES for 1-(3-methylidenepyrrolidin-1-yl)propan-1-ol is C=C1CCN(C(O)CC)C1.
What is the InChIKey of 1-(3-methylidenepyrrolidin-1-yl)propan-1-ol?
The InChIKey is ISVWBIOEKGDKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-3-8(10)9-5-4-7(2)6-9/h8,10H,2-6H2,1H3.
What are the key properties of 1-(3-methylidenepyrrolidin-1-yl)propan-1-ol?
1-(3-methylidenepyrrolidin-1-yl)propan-1-ol has a molecular weight of 141.21 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylidenepyrrolidin-1-yl)propan-1-ol is sourced from PubChem (CID 143146649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).