ethane;N-[(4Z,6Z)-nona-4,6-dien-2-yl]-2-(2-oxopyrrolidin-1-yl)propanamide

C18H32N2O2 — CID 142256258

IUPACethane;N-[(4Z,6Z)-nona-4,6-dien-2-yl]-2-(2-oxopyrrolidin-1-yl)propanamide
SMILESCC.CC/C=C\C=C/CC(C)NC(=O)C(C)N1CCCC1=O
InChIInChI=1S/C16H26N2O2.C2H6/c1-4-5-6-7-8-10-13(2)17-16(20)14(3)18-12-9-11-15(18)19;1-2/h5-8,13-14H,4,9-12H2,1-3H3,(H,17,20);1-2H3/b6-5-,8-7-;
InChIKeyUHFIQTKCBSLZMT-OICKEEGDSA-N
MW308.47 g/mol
LogP3.44
Rot. Bonds7

About ethane;N-[(4Z,6Z)-nona-4,6-dien-2-yl]-2-(2-oxopyrrolidin-1-yl)propanamide

ethane;N-[(4Z,6Z)-nona-4,6-dien-2-yl]-2-(2-oxopyrrolidin-1-yl)propanamide (PubChem CID 142256258) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is ethane;N-[(4Z,6Z)-nona-4,6-dien-2-yl]-2-(2-oxopyrrolidin-1-yl)propanamide.

Molecular Properties

Compound Nameethane;N-[(4Z,6Z)-nona-4,6-dien-2-yl]-2-(2-oxopyrrolidin-1-yl)propanamide
PubChem CID142256258
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC Nameethane;N-[(4Z,6Z)-nona-4,6-dien-2-yl]-2-(2-oxopyrrolidin-1-yl)propanamide
SMILESCC.CC/C=C\C=C/CC(C)NC(=O)C(C)N1CCCC1=O
InChIInChI=1S/C16H26N2O2.C2H6/c1-4-5-6-7-8-10-13(2)17-16(20)14(3)18-12-9-11-15(18)19;1-2/h5-8,13-14H,4,9-12H2,1-3H3,(H,17,20);1-2H3/b6-5-,8-7-;
InChIKeyUHFIQTKCBSLZMT-OICKEEGDSA-N
XLogP3.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;N-[(4Z,6Z)-nona-4,6-dien-2-yl]-2-(2-oxopyrrolidin-1-yl)propanamide?
The IUPAC name of ethane;N-[(4Z,6Z)-nona-4,6-dien-2-yl]-2-(2-oxopyrrolidin-1-yl)propanamide (CID 142256258) is ethane;N-[(4Z,6Z)-nona-4,6-dien-2-yl]-2-(2-oxopyrrolidin-1-yl)propanamide.
What is the SMILES notation for ethane;N-[(4Z,6Z)-nona-4,6-dien-2-yl]-2-(2-oxopyrrolidin-1-yl)propanamide?
The canonical SMILES for ethane;N-[(4Z,6Z)-nona-4,6-dien-2-yl]-2-(2-oxopyrrolidin-1-yl)propanamide is CC.CC/C=C\C=C/CC(C)NC(=O)C(C)N1CCCC1=O.
What is the InChIKey of ethane;N-[(4Z,6Z)-nona-4,6-dien-2-yl]-2-(2-oxopyrrolidin-1-yl)propanamide?
The InChIKey is UHFIQTKCBSLZMT-OICKEEGDSA-N. The full InChI is InChI=1S/C16H26N2O2.C2H6/c1-4-5-6-7-8-10-13(2)17-16(20)14(3)18-12-9-11-15(18)19;1-2/h5-8,13-14H,4,9-12H2,1-3H3,(H,17,20);1-2H3/b6-5-,8-7-;.
What are the key properties of ethane;N-[(4Z,6Z)-nona-4,6-dien-2-yl]-2-(2-oxopyrrolidin-1-yl)propanamide?
ethane;N-[(4Z,6Z)-nona-4,6-dien-2-yl]-2-(2-oxopyrrolidin-1-yl)propanamide has a molecular weight of 308.47 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(4Z,6Z)-nona-4,6-dien-2-yl]-2-(2-oxopyrrolidin-1-yl)propanamide is sourced from PubChem (CID 142256258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).