1-(4,5-dimethylidenepyrrolidin-3-yl)propan-1-one

C9H13NO — CID 138567166

IUPAC1-(4,5-dimethylidenepyrrolidin-3-yl)propan-1-one
SMILESC=C1NCC(C(=O)CC)C1=C
InChIInChI=1S/C9H13NO/c1-4-9(11)8-5-10-7(3)6(8)2/h8,10H,2-5H2,1H3
InChIKeyOLHRPPHHZCQOIP-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.25
Rot. Bonds2

About 1-(4,5-dimethylidenepyrrolidin-3-yl)propan-1-one

1-(4,5-dimethylidenepyrrolidin-3-yl)propan-1-one (PubChem CID 138567166) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 1-(4,5-dimethylidenepyrrolidin-3-yl)propan-1-one.

Molecular Properties

Compound Name1-(4,5-dimethylidenepyrrolidin-3-yl)propan-1-one
PubChem CID138567166
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name1-(4,5-dimethylidenepyrrolidin-3-yl)propan-1-one
SMILESC=C1NCC(C(=O)CC)C1=C
InChIInChI=1S/C9H13NO/c1-4-9(11)8-5-10-7(3)6(8)2/h8,10H,2-5H2,1H3
InChIKeyOLHRPPHHZCQOIP-UHFFFAOYSA-N
XLogP1.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethylidenepyrrolidin-3-yl)propan-1-one?
The IUPAC name of 1-(4,5-dimethylidenepyrrolidin-3-yl)propan-1-one (CID 138567166) is 1-(4,5-dimethylidenepyrrolidin-3-yl)propan-1-one.
What is the SMILES notation for 1-(4,5-dimethylidenepyrrolidin-3-yl)propan-1-one?
The canonical SMILES for 1-(4,5-dimethylidenepyrrolidin-3-yl)propan-1-one is C=C1NCC(C(=O)CC)C1=C.
What is the InChIKey of 1-(4,5-dimethylidenepyrrolidin-3-yl)propan-1-one?
The InChIKey is OLHRPPHHZCQOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-4-9(11)8-5-10-7(3)6(8)2/h8,10H,2-5H2,1H3.
What are the key properties of 1-(4,5-dimethylidenepyrrolidin-3-yl)propan-1-one?
1-(4,5-dimethylidenepyrrolidin-3-yl)propan-1-one has a molecular weight of 151.21 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethylidenepyrrolidin-3-yl)propan-1-one is sourced from PubChem (CID 138567166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).