N-[1-(4-ethylcyclohexa-1,3-diene-1-carbonyl)pyrrolidin-3-yl]acetamide

C15H22N2O2 — CID 71065612

IUPACN-[1-(4-ethylcyclohexa-1,3-diene-1-carbonyl)pyrrolidin-3-yl]acetamide
SMILESCCC1=CC=C(C(=O)N2CCC(NC(C)=O)C2)CC1
InChIInChI=1S/C15H22N2O2/c1-3-12-4-6-13(7-5-12)15(19)17-9-8-14(10-17)16-11(2)18/h4,6,14H,3,5,7-10H2,1-2H3,(H,16,18)
InChIKeyJDTLEAWSUYHHND-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.78
Rot. Bonds3

About N-[1-(4-ethylcyclohexa-1,3-diene-1-carbonyl)pyrrolidin-3-yl]acetamide

N-[1-(4-ethylcyclohexa-1,3-diene-1-carbonyl)pyrrolidin-3-yl]acetamide (PubChem CID 71065612) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[1-(4-ethylcyclohexa-1,3-diene-1-carbonyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-(4-ethylcyclohexa-1,3-diene-1-carbonyl)pyrrolidin-3-yl]acetamide
PubChem CID71065612
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-[1-(4-ethylcyclohexa-1,3-diene-1-carbonyl)pyrrolidin-3-yl]acetamide
SMILESCCC1=CC=C(C(=O)N2CCC(NC(C)=O)C2)CC1
InChIInChI=1S/C15H22N2O2/c1-3-12-4-6-13(7-5-12)15(19)17-9-8-14(10-17)16-11(2)18/h4,6,14H,3,5,7-10H2,1-2H3,(H,16,18)
InChIKeyJDTLEAWSUYHHND-UHFFFAOYSA-N
XLogP1.78
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylcyclohexa-1,3-diene-1-carbonyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[1-(4-ethylcyclohexa-1,3-diene-1-carbonyl)pyrrolidin-3-yl]acetamide (CID 71065612) is N-[1-(4-ethylcyclohexa-1,3-diene-1-carbonyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[1-(4-ethylcyclohexa-1,3-diene-1-carbonyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[1-(4-ethylcyclohexa-1,3-diene-1-carbonyl)pyrrolidin-3-yl]acetamide is CCC1=CC=C(C(=O)N2CCC(NC(C)=O)C2)CC1.
What is the InChIKey of N-[1-(4-ethylcyclohexa-1,3-diene-1-carbonyl)pyrrolidin-3-yl]acetamide?
The InChIKey is JDTLEAWSUYHHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-12-4-6-13(7-5-12)15(19)17-9-8-14(10-17)16-11(2)18/h4,6,14H,3,5,7-10H2,1-2H3,(H,16,18).
What are the key properties of N-[1-(4-ethylcyclohexa-1,3-diene-1-carbonyl)pyrrolidin-3-yl]acetamide?
N-[1-(4-ethylcyclohexa-1,3-diene-1-carbonyl)pyrrolidin-3-yl]acetamide has a molecular weight of 262.35 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylcyclohexa-1,3-diene-1-carbonyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 71065612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).