sodium (Z)-4-methyliminopent-2-en-2-olate

C6H10NNaO — CID 100988565

IUPACsodium (Z)-4-methyliminopent-2-en-2-olate
SMILESC/N=C(C)/C=C(/C)[O-].[Na+]
InChIInChI=1S/C6H11NO.Na/c1-5(7-3)4-6(2)8;/h4,8H,1-3H3;/q;+1/p-1/b6-4-,7-5+;
InChIKeyKXQKEWVASSYERN-ZMVRXXEHSA-M
MW135.14 g/mol
LogP-2.65
Rot. Bonds1

About sodium (Z)-4-methyliminopent-2-en-2-olate

sodium (Z)-4-methyliminopent-2-en-2-olate (PubChem CID 100988565) has the molecular formula C6H10NNaO and a molecular weight of 135.14 g/mol. Its IUPAC name is sodium (Z)-4-methyliminopent-2-en-2-olate.

Molecular Properties

Compound Namesodium (Z)-4-methyliminopent-2-en-2-olate
PubChem CID100988565
Molecular FormulaC6H10NNaO
Molecular Weight135.14 g/mol
Exact Mass135.07
IUPAC Namesodium (Z)-4-methyliminopent-2-en-2-olate
SMILESC/N=C(C)/C=C(/C)[O-].[Na+]
InChIInChI=1S/C6H11NO.Na/c1-5(7-3)4-6(2)8;/h4,8H,1-3H3;/q;+1/p-1/b6-4-,7-5+;
InChIKeyKXQKEWVASSYERN-ZMVRXXEHSA-M
XLogP-2.65
TPSA35.42 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.14
LogP ≤ 5-2.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze sodium (Z)-4-methyliminopent-2-en-2-olate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-1-fluoro-4-methoxy-N-methylpent-3-en-2-imine
CID 88941554
(Z)-4-difluoroboranyloxy-N-methylpent-3-en-2-imine
CID 12092002
(E)-4-methoxy-N-methylpent-3-en-2-imine
CID 53982430
(Z)-4-methyliminopent-2-en-2-olate
CID 58104808
(Z)-4-tert-butyliminopent-2-en-2-olate
CID 58104810
4,6-dimethyl-2H-1,3-oxazine
CID 59189020
(Z)-4-methoxy-N-methylpent-3-en-2-imine
CID 59782201
4-methoxy-N-methylpent-3-en-2-imine
CID 76089775
(Z)-4-propan-2-yliminopent-2-en-2-olate
CID 102466069
(E)-4-methoxy-N-methylhex-3-en-2-imine
CID 123311460
(Z)-4-dimethylalumanyloxy-N-methylpent-3-en-2-imine
CID 154587309
(Z)-4-di(propan-2-yl)alumanyloxy-N-methylpent-3-en-2-imine
CID 154587315

Frequently Asked Questions

What is the IUPAC name of sodium (Z)-4-methyliminopent-2-en-2-olate?
The IUPAC name of sodium (Z)-4-methyliminopent-2-en-2-olate (CID 100988565) is sodium (Z)-4-methyliminopent-2-en-2-olate.
What is the SMILES notation for sodium (Z)-4-methyliminopent-2-en-2-olate?
The canonical SMILES for sodium (Z)-4-methyliminopent-2-en-2-olate is C/N=C(C)/C=C(/C)[O-].[Na+].
What is the InChIKey of sodium (Z)-4-methyliminopent-2-en-2-olate?
The InChIKey is KXQKEWVASSYERN-ZMVRXXEHSA-M. The full InChI is InChI=1S/C6H11NO.Na/c1-5(7-3)4-6(2)8;/h4,8H,1-3H3;/q;+1/p-1/b6-4-,7-5+;.
What are the key properties of sodium (Z)-4-methyliminopent-2-en-2-olate?
sodium (Z)-4-methyliminopent-2-en-2-olate has a molecular weight of 135.14 g/mol, XLogP of -2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (Z)-4-methyliminopent-2-en-2-olate is sourced from PubChem (CID 100988565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).