3-(3-methylpentan-3-ylamino)cyclopent-2-en-1-one

C11H19NO — CID 106329463

IUPAC3-(3-methylpentan-3-ylamino)cyclopent-2-en-1-one
SMILESCCC(C)(CC)NC1=CC(=O)CC1
InChIInChI=1S/C11H19NO/c1-4-11(3,5-2)12-9-6-7-10(13)8-9/h8,12H,4-7H2,1-3H3
InChIKeyRXLPHSMFRADLHG-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.40
Rot. Bonds4

About 3-(3-methylpentan-3-ylamino)cyclopent-2-en-1-one

3-(3-methylpentan-3-ylamino)cyclopent-2-en-1-one (PubChem CID 106329463) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 3-(3-methylpentan-3-ylamino)cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-(3-methylpentan-3-ylamino)cyclopent-2-en-1-one
PubChem CID106329463
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name3-(3-methylpentan-3-ylamino)cyclopent-2-en-1-one
SMILESCCC(C)(CC)NC1=CC(=O)CC1
InChIInChI=1S/C11H19NO/c1-4-11(3,5-2)12-9-6-7-10(13)8-9/h8,12H,4-7H2,1-3H3
InChIKeyRXLPHSMFRADLHG-UHFFFAOYSA-N
XLogP2.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylpentan-3-ylamino)cyclopent-2-en-1-one?
The IUPAC name of 3-(3-methylpentan-3-ylamino)cyclopent-2-en-1-one (CID 106329463) is 3-(3-methylpentan-3-ylamino)cyclopent-2-en-1-one.
What is the SMILES notation for 3-(3-methylpentan-3-ylamino)cyclopent-2-en-1-one?
The canonical SMILES for 3-(3-methylpentan-3-ylamino)cyclopent-2-en-1-one is CCC(C)(CC)NC1=CC(=O)CC1.
What is the InChIKey of 3-(3-methylpentan-3-ylamino)cyclopent-2-en-1-one?
The InChIKey is RXLPHSMFRADLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-4-11(3,5-2)12-9-6-7-10(13)8-9/h8,12H,4-7H2,1-3H3.
What are the key properties of 3-(3-methylpentan-3-ylamino)cyclopent-2-en-1-one?
3-(3-methylpentan-3-ylamino)cyclopent-2-en-1-one has a molecular weight of 181.28 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylpentan-3-ylamino)cyclopent-2-en-1-one is sourced from PubChem (CID 106329463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).