methyl(5-oxopentyl)azanide;vanadium

C6H12NOV- — CID 168958729

IUPACmethyl(5-oxopentyl)azanide;vanadium
SMILESC[N-]CCCCC=O.[V]
InChIInChI=1S/C6H12NO.V/c1-7-5-3-2-4-6-8;/h6H,2-5H2,1H3;/q-1;
InChIKeyJBCIWBKCQZDNPV-UHFFFAOYSA-N
MW165.11 g/mol
LogP1.36
Rot. Bonds5

About methyl(5-oxopentyl)azanide;vanadium

methyl(5-oxopentyl)azanide;vanadium (PubChem CID 168958729) has the molecular formula C6H12NOV- and a molecular weight of 165.11 g/mol. Its IUPAC name is methyl(5-oxopentyl)azanide;vanadium.

Molecular Properties

Compound Namemethyl(5-oxopentyl)azanide;vanadium
PubChem CID168958729
Molecular FormulaC6H12NOV-
Molecular Weight165.11 g/mol
Exact Mass165.04
IUPAC Namemethyl(5-oxopentyl)azanide;vanadium
SMILESC[N-]CCCCC=O.[V]
InChIInChI=1S/C6H12NO.V/c1-7-5-3-2-4-6-8;/h6H,2-5H2,1H3;/q-1;
InChIKeyJBCIWBKCQZDNPV-UHFFFAOYSA-N
XLogP1.36
TPSA31.17 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.11
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

pentadecanedial
CID 22887412
hexanal;titanium
CID 87066655
pentanal;silver;vanadium
CID 87225713
decanal;decane
CID 157361056
hexanal;trihydrochloride
CID 175325753
hydron;pentanedial
CID 87858118
pentanedial;silane
CID 173075190
CID 169120149
CID 169120149
tetrakis(rhodium);tridecanal
CID 173078093
azane;octadecanal
CID 87079794
decanal;dihydrochloride
CID 87616227
undecanal;hydrate
CID 154984235

Frequently Asked Questions

What is the IUPAC name of methyl(5-oxopentyl)azanide;vanadium?
The IUPAC name of methyl(5-oxopentyl)azanide;vanadium (CID 168958729) is methyl(5-oxopentyl)azanide;vanadium.
What is the SMILES notation for methyl(5-oxopentyl)azanide;vanadium?
The canonical SMILES for methyl(5-oxopentyl)azanide;vanadium is C[N-]CCCCC=O.[V].
What is the InChIKey of methyl(5-oxopentyl)azanide;vanadium?
The InChIKey is JBCIWBKCQZDNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12NO.V/c1-7-5-3-2-4-6-8;/h6H,2-5H2,1H3;/q-1;.
What are the key properties of methyl(5-oxopentyl)azanide;vanadium?
methyl(5-oxopentyl)azanide;vanadium has a molecular weight of 165.11 g/mol, XLogP of 1.36, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(5-oxopentyl)azanide;vanadium is sourced from PubChem (CID 168958729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).