1-cyclopropyl-4-[(E)-pent-2-en-2-yl]pyridin-2-one;ethane

C19H35NO — CID 178058605

IUPAC1-cyclopropyl-4-[(E)-pent-2-en-2-yl]pyridin-2-one;ethane
SMILESCC.CC.CC.CC/C=C(\C)c1ccn(C2CC2)c(=O)c1
InChIInChI=1S/C13H17NO.3C2H6/c1-3-4-10(2)11-7-8-14(12-5-6-12)13(15)9-11;3*1-2/h4,7-9,12H,3,5-6H2,1-2H3;3*1-2H3/b10-4+;;;
InChIKeyZBPWZJVPFBNACG-LFDAPOSGSA-N
MW293.50 g/mol
LogP6.08
Rot. Bonds3

About 1-cyclopropyl-4-[(E)-pent-2-en-2-yl]pyridin-2-one;ethane

1-cyclopropyl-4-[(E)-pent-2-en-2-yl]pyridin-2-one;ethane (PubChem CID 178058605) has the molecular formula C19H35NO and a molecular weight of 293.50 g/mol. Its IUPAC name is 1-cyclopropyl-4-[(E)-pent-2-en-2-yl]pyridin-2-one;ethane.

Molecular Properties

Compound Name1-cyclopropyl-4-[(E)-pent-2-en-2-yl]pyridin-2-one;ethane
PubChem CID178058605
Molecular FormulaC19H35NO
Molecular Weight293.50 g/mol
Exact Mass293.27
IUPAC Name1-cyclopropyl-4-[(E)-pent-2-en-2-yl]pyridin-2-one;ethane
SMILESCC.CC.CC.CC/C=C(\C)c1ccn(C2CC2)c(=O)c1
InChIInChI=1S/C13H17NO.3C2H6/c1-3-4-10(2)11-7-8-14(12-5-6-12)13(15)9-11;3*1-2/h4,7-9,12H,3,5-6H2,1-2H3;3*1-2H3/b10-4+;;;
InChIKeyZBPWZJVPFBNACG-LFDAPOSGSA-N
XLogP6.08
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.50
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-[(E)-pent-2-en-2-yl]pyridin-2-one;ethane?
The IUPAC name of 1-cyclopropyl-4-[(E)-pent-2-en-2-yl]pyridin-2-one;ethane (CID 178058605) is 1-cyclopropyl-4-[(E)-pent-2-en-2-yl]pyridin-2-one;ethane.
What is the SMILES notation for 1-cyclopropyl-4-[(E)-pent-2-en-2-yl]pyridin-2-one;ethane?
The canonical SMILES for 1-cyclopropyl-4-[(E)-pent-2-en-2-yl]pyridin-2-one;ethane is CC.CC.CC.CC/C=C(\C)c1ccn(C2CC2)c(=O)c1.
What is the InChIKey of 1-cyclopropyl-4-[(E)-pent-2-en-2-yl]pyridin-2-one;ethane?
The InChIKey is ZBPWZJVPFBNACG-LFDAPOSGSA-N. The full InChI is InChI=1S/C13H17NO.3C2H6/c1-3-4-10(2)11-7-8-14(12-5-6-12)13(15)9-11;3*1-2/h4,7-9,12H,3,5-6H2,1-2H3;3*1-2H3/b10-4+;;;.
What are the key properties of 1-cyclopropyl-4-[(E)-pent-2-en-2-yl]pyridin-2-one;ethane?
1-cyclopropyl-4-[(E)-pent-2-en-2-yl]pyridin-2-one;ethane has a molecular weight of 293.50 g/mol, XLogP of 6.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-[(E)-pent-2-en-2-yl]pyridin-2-one;ethane is sourced from PubChem (CID 178058605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).