1-[2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]propyl]pyrrolidin-2-one

C15H26N2O2 — CID 64863520

IUPAC1-[2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]propyl]pyrrolidin-2-one
SMILESCC(CN1CCCC1=O)NC1C2CCOC2C1(C)C
InChIInChI=1S/C15H26N2O2/c1-10(9-17-7-4-5-12(17)18)16-13-11-6-8-19-14(11)15(13,2)3/h10-11,13-14,16H,4-9H2,1-3H3
InChIKeyPKUOPOHOHUIWSN-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.40
Rot. Bonds4

About 1-[2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]propyl]pyrrolidin-2-one

1-[2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]propyl]pyrrolidin-2-one (PubChem CID 64863520) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-[2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]propyl]pyrrolidin-2-one
PubChem CID64863520
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name1-[2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]propyl]pyrrolidin-2-one
SMILESCC(CN1CCCC1=O)NC1C2CCOC2C1(C)C
InChIInChI=1S/C15H26N2O2/c1-10(9-17-7-4-5-12(17)18)16-13-11-6-8-19-14(11)15(13,2)3/h10-11,13-14,16H,4-9H2,1-3H3
InChIKeyPKUOPOHOHUIWSN-UHFFFAOYSA-N
XLogP1.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]propyl]pyrrolidin-2-one (CID 64863520) is 1-[2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]propyl]pyrrolidin-2-one is CC(CN1CCCC1=O)NC1C2CCOC2C1(C)C.
What is the InChIKey of 1-[2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]propyl]pyrrolidin-2-one?
The InChIKey is PKUOPOHOHUIWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-10(9-17-7-4-5-12(17)18)16-13-11-6-8-19-14(11)15(13,2)3/h10-11,13-14,16H,4-9H2,1-3H3.
What are the key properties of 1-[2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]propyl]pyrrolidin-2-one?
1-[2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]propyl]pyrrolidin-2-one has a molecular weight of 266.38 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 64863520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).