1-[1,4-di(propan-2-yl)pyrrolidin-3-yl]pyridin-2-one;ethane

C17H30N2O — CID 167632129

IUPAC1-[1,4-di(propan-2-yl)pyrrolidin-3-yl]pyridin-2-one;ethane
SMILESCC.CC(C)C1CN(C(C)C)CC1n1ccccc1=O
InChIInChI=1S/C15H24N2O.C2H6/c1-11(2)13-9-16(12(3)4)10-14(13)17-8-6-5-7-15(17)18;1-2/h5-8,11-14H,9-10H2,1-4H3;1-2H3
InChIKeyNYOMINRGTXJKDU-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.41
Rot. Bonds3

About 1-[1,4-di(propan-2-yl)pyrrolidin-3-yl]pyridin-2-one;ethane

1-[1,4-di(propan-2-yl)pyrrolidin-3-yl]pyridin-2-one;ethane (PubChem CID 167632129) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-[1,4-di(propan-2-yl)pyrrolidin-3-yl]pyridin-2-one;ethane.

Molecular Properties

Compound Name1-[1,4-di(propan-2-yl)pyrrolidin-3-yl]pyridin-2-one;ethane
PubChem CID167632129
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name1-[1,4-di(propan-2-yl)pyrrolidin-3-yl]pyridin-2-one;ethane
SMILESCC.CC(C)C1CN(C(C)C)CC1n1ccccc1=O
InChIInChI=1S/C15H24N2O.C2H6/c1-11(2)13-9-16(12(3)4)10-14(13)17-8-6-5-7-15(17)18;1-2/h5-8,11-14H,9-10H2,1-4H3;1-2H3
InChIKeyNYOMINRGTXJKDU-UHFFFAOYSA-N
XLogP3.41
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1,4-di(propan-2-yl)pyrrolidin-3-yl]pyridin-2-one;ethane?
The IUPAC name of 1-[1,4-di(propan-2-yl)pyrrolidin-3-yl]pyridin-2-one;ethane (CID 167632129) is 1-[1,4-di(propan-2-yl)pyrrolidin-3-yl]pyridin-2-one;ethane.
What is the SMILES notation for 1-[1,4-di(propan-2-yl)pyrrolidin-3-yl]pyridin-2-one;ethane?
The canonical SMILES for 1-[1,4-di(propan-2-yl)pyrrolidin-3-yl]pyridin-2-one;ethane is CC.CC(C)C1CN(C(C)C)CC1n1ccccc1=O.
What is the InChIKey of 1-[1,4-di(propan-2-yl)pyrrolidin-3-yl]pyridin-2-one;ethane?
The InChIKey is NYOMINRGTXJKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O.C2H6/c1-11(2)13-9-16(12(3)4)10-14(13)17-8-6-5-7-15(17)18;1-2/h5-8,11-14H,9-10H2,1-4H3;1-2H3.
What are the key properties of 1-[1,4-di(propan-2-yl)pyrrolidin-3-yl]pyridin-2-one;ethane?
1-[1,4-di(propan-2-yl)pyrrolidin-3-yl]pyridin-2-one;ethane has a molecular weight of 278.44 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,4-di(propan-2-yl)pyrrolidin-3-yl]pyridin-2-one;ethane is sourced from PubChem (CID 167632129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).