1-[(Z)-3-ethyloct-6-en-2-yl]pyrrolidin-2-one

C14H25NO — CID 163656401

IUPAC1-[(Z)-3-ethyloct-6-en-2-yl]pyrrolidin-2-one
SMILESC/C=C\CCC(CC)C(C)N1CCCC1=O
InChIInChI=1S/C14H25NO/c1-4-6-7-9-13(5-2)12(3)15-11-8-10-14(15)16/h4,6,12-13H,5,7-11H2,1-3H3/b6-4-
InChIKeyIQOWILIBHNFAEO-XQRVVYSFSA-N
MW223.36 g/mol
LogP3.38
Rot. Bonds6

About 1-[(Z)-3-ethyloct-6-en-2-yl]pyrrolidin-2-one

1-[(Z)-3-ethyloct-6-en-2-yl]pyrrolidin-2-one (PubChem CID 163656401) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-[(Z)-3-ethyloct-6-en-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(Z)-3-ethyloct-6-en-2-yl]pyrrolidin-2-one
PubChem CID163656401
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name1-[(Z)-3-ethyloct-6-en-2-yl]pyrrolidin-2-one
SMILESC/C=C\CCC(CC)C(C)N1CCCC1=O
InChIInChI=1S/C14H25NO/c1-4-6-7-9-13(5-2)12(3)15-11-8-10-14(15)16/h4,6,12-13H,5,7-11H2,1-3H3/b6-4-
InChIKeyIQOWILIBHNFAEO-XQRVVYSFSA-N
XLogP3.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-3-ethyloct-6-en-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-[(Z)-3-ethyloct-6-en-2-yl]pyrrolidin-2-one (CID 163656401) is 1-[(Z)-3-ethyloct-6-en-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(Z)-3-ethyloct-6-en-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[(Z)-3-ethyloct-6-en-2-yl]pyrrolidin-2-one is C/C=C\CCC(CC)C(C)N1CCCC1=O.
What is the InChIKey of 1-[(Z)-3-ethyloct-6-en-2-yl]pyrrolidin-2-one?
The InChIKey is IQOWILIBHNFAEO-XQRVVYSFSA-N. The full InChI is InChI=1S/C14H25NO/c1-4-6-7-9-13(5-2)12(3)15-11-8-10-14(15)16/h4,6,12-13H,5,7-11H2,1-3H3/b6-4-.
What are the key properties of 1-[(Z)-3-ethyloct-6-en-2-yl]pyrrolidin-2-one?
1-[(Z)-3-ethyloct-6-en-2-yl]pyrrolidin-2-one has a molecular weight of 223.36 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-3-ethyloct-6-en-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 163656401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).