3-(hexan-3-ylamino)-1-propan-2-ylpyrrolidin-2-one

C13H26N2O — CID 115672858

IUPAC3-(hexan-3-ylamino)-1-propan-2-ylpyrrolidin-2-one
SMILESCCCC(CC)NC1CCN(C(C)C)C1=O
InChIInChI=1S/C13H26N2O/c1-5-7-11(6-2)14-12-8-9-15(10(3)4)13(12)16/h10-12,14H,5-9H2,1-4H3
InChIKeyWZZMPTCZOJCSDS-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.16
Rot. Bonds6

About 3-(hexan-3-ylamino)-1-propan-2-ylpyrrolidin-2-one

3-(hexan-3-ylamino)-1-propan-2-ylpyrrolidin-2-one (PubChem CID 115672858) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-(hexan-3-ylamino)-1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name3-(hexan-3-ylamino)-1-propan-2-ylpyrrolidin-2-one
PubChem CID115672858
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3-(hexan-3-ylamino)-1-propan-2-ylpyrrolidin-2-one
SMILESCCCC(CC)NC1CCN(C(C)C)C1=O
InChIInChI=1S/C13H26N2O/c1-5-7-11(6-2)14-12-8-9-15(10(3)4)13(12)16/h10-12,14H,5-9H2,1-4H3
InChIKeyWZZMPTCZOJCSDS-UHFFFAOYSA-N
XLogP2.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(hexan-3-ylamino)-1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 3-(hexan-3-ylamino)-1-propan-2-ylpyrrolidin-2-one (CID 115672858) is 3-(hexan-3-ylamino)-1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 3-(hexan-3-ylamino)-1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 3-(hexan-3-ylamino)-1-propan-2-ylpyrrolidin-2-one is CCCC(CC)NC1CCN(C(C)C)C1=O.
What is the InChIKey of 3-(hexan-3-ylamino)-1-propan-2-ylpyrrolidin-2-one?
The InChIKey is WZZMPTCZOJCSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-5-7-11(6-2)14-12-8-9-15(10(3)4)13(12)16/h10-12,14H,5-9H2,1-4H3.
What are the key properties of 3-(hexan-3-ylamino)-1-propan-2-ylpyrrolidin-2-one?
3-(hexan-3-ylamino)-1-propan-2-ylpyrrolidin-2-one has a molecular weight of 226.36 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hexan-3-ylamino)-1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 115672858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).