(Z)-1-[1-(1-hydroxyprop-2-enyl)imidazolidin-2-yl]octadec-9-en-1-one

C24H44N2O2 — CID 174572597

IUPAC(Z)-1-[1-(1-hydroxyprop-2-enyl)imidazolidin-2-yl]octadec-9-en-1-one
SMILESC=CC(O)N1CCNC1C(=O)CCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C24H44N2O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(27)24-25-20-21-26(24)23(28)4-2/h4,11-12,23-25,28H,2-3,5-10,13-21H2,1H3/b12-11-
InChIKeyWQUOBLFXIFJYJW-QXMHVHEDSA-N
MW392.63 g/mol
LogP5.33
Rot. Bonds18

About (Z)-1-[1-(1-hydroxyprop-2-enyl)imidazolidin-2-yl]octadec-9-en-1-one

(Z)-1-[1-(1-hydroxyprop-2-enyl)imidazolidin-2-yl]octadec-9-en-1-one (PubChem CID 174572597) has the molecular formula C24H44N2O2 and a molecular weight of 392.63 g/mol. Its IUPAC name is (Z)-1-[1-(1-hydroxyprop-2-enyl)imidazolidin-2-yl]octadec-9-en-1-one.

Molecular Properties

Compound Name(Z)-1-[1-(1-hydroxyprop-2-enyl)imidazolidin-2-yl]octadec-9-en-1-one
PubChem CID174572597
Molecular FormulaC24H44N2O2
Molecular Weight392.63 g/mol
Exact Mass392.34
IUPAC Name(Z)-1-[1-(1-hydroxyprop-2-enyl)imidazolidin-2-yl]octadec-9-en-1-one
SMILESC=CC(O)N1CCNC1C(=O)CCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C24H44N2O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(27)24-25-20-21-26(24)23(28)4-2/h4,11-12,23-25,28H,2-3,5-10,13-21H2,1H3/b12-11-
InChIKeyWQUOBLFXIFJYJW-QXMHVHEDSA-N
XLogP5.33
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.63
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-[1-(1-hydroxyprop-2-enyl)imidazolidin-2-yl]octadec-9-en-1-one?
The IUPAC name of (Z)-1-[1-(1-hydroxyprop-2-enyl)imidazolidin-2-yl]octadec-9-en-1-one (CID 174572597) is (Z)-1-[1-(1-hydroxyprop-2-enyl)imidazolidin-2-yl]octadec-9-en-1-one.
What is the SMILES notation for (Z)-1-[1-(1-hydroxyprop-2-enyl)imidazolidin-2-yl]octadec-9-en-1-one?
The canonical SMILES for (Z)-1-[1-(1-hydroxyprop-2-enyl)imidazolidin-2-yl]octadec-9-en-1-one is C=CC(O)N1CCNC1C(=O)CCCCCCC/C=C\CCCCCCCC.
What is the InChIKey of (Z)-1-[1-(1-hydroxyprop-2-enyl)imidazolidin-2-yl]octadec-9-en-1-one?
The InChIKey is WQUOBLFXIFJYJW-QXMHVHEDSA-N. The full InChI is InChI=1S/C24H44N2O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(27)24-25-20-21-26(24)23(28)4-2/h4,11-12,23-25,28H,2-3,5-10,13-21H2,1H3/b12-11-.
What are the key properties of (Z)-1-[1-(1-hydroxyprop-2-enyl)imidazolidin-2-yl]octadec-9-en-1-one?
(Z)-1-[1-(1-hydroxyprop-2-enyl)imidazolidin-2-yl]octadec-9-en-1-one has a molecular weight of 392.63 g/mol, XLogP of 5.33, 18 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[1-(1-hydroxyprop-2-enyl)imidazolidin-2-yl]octadec-9-en-1-one is sourced from PubChem (CID 174572597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).