(6Z)-6-(carbamoylhydrazinylidene)-3,7-dimethyloctanoic acid

C11H21N3O3 — CID 121220092

IUPAC(6Z)-6-(carbamoylhydrazinylidene)-3,7-dimethyloctanoic acid
SMILESCC(CC/C(=N/NC(N)=O)C(C)C)CC(=O)O
InChIInChI=1S/C11H21N3O3/c1-7(2)9(13-14-11(12)17)5-4-8(3)6-10(15)16/h7-8H,4-6H2,1-3H3,(H,15,16)(H3,12,14,17)/b13-9-
InChIKeyJMLPWGRLSVXGGU-LCYFTJDESA-N
MW243.31 g/mol
LogP1.56
Rot. Bonds7

About (6Z)-6-(carbamoylhydrazinylidene)-3,7-dimethyloctanoic acid

(6Z)-6-(carbamoylhydrazinylidene)-3,7-dimethyloctanoic acid (PubChem CID 121220092) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is (6Z)-6-(carbamoylhydrazinylidene)-3,7-dimethyloctanoic acid.

Molecular Properties

Compound Name(6Z)-6-(carbamoylhydrazinylidene)-3,7-dimethyloctanoic acid
PubChem CID121220092
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name(6Z)-6-(carbamoylhydrazinylidene)-3,7-dimethyloctanoic acid
SMILESCC(CC/C(=N/NC(N)=O)C(C)C)CC(=O)O
InChIInChI=1S/C11H21N3O3/c1-7(2)9(13-14-11(12)17)5-4-8(3)6-10(15)16/h7-8H,4-6H2,1-3H3,(H,15,16)(H3,12,14,17)/b13-9-
InChIKeyJMLPWGRLSVXGGU-LCYFTJDESA-N
XLogP1.56
TPSA104.78 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6Z)-6-(carbamoylhydrazinylidene)-3,7-dimethyloctanoic acid?
The IUPAC name of (6Z)-6-(carbamoylhydrazinylidene)-3,7-dimethyloctanoic acid (CID 121220092) is (6Z)-6-(carbamoylhydrazinylidene)-3,7-dimethyloctanoic acid.
What is the SMILES notation for (6Z)-6-(carbamoylhydrazinylidene)-3,7-dimethyloctanoic acid?
The canonical SMILES for (6Z)-6-(carbamoylhydrazinylidene)-3,7-dimethyloctanoic acid is CC(CC/C(=N/NC(N)=O)C(C)C)CC(=O)O.
What is the InChIKey of (6Z)-6-(carbamoylhydrazinylidene)-3,7-dimethyloctanoic acid?
The InChIKey is JMLPWGRLSVXGGU-LCYFTJDESA-N. The full InChI is InChI=1S/C11H21N3O3/c1-7(2)9(13-14-11(12)17)5-4-8(3)6-10(15)16/h7-8H,4-6H2,1-3H3,(H,15,16)(H3,12,14,17)/b13-9-.
What are the key properties of (6Z)-6-(carbamoylhydrazinylidene)-3,7-dimethyloctanoic acid?
(6Z)-6-(carbamoylhydrazinylidene)-3,7-dimethyloctanoic acid has a molecular weight of 243.31 g/mol, XLogP of 1.56, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-(carbamoylhydrazinylidene)-3,7-dimethyloctanoic acid is sourced from PubChem (CID 121220092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).