(Z)-4-propan-2-yliminopent-2-en-2-olate

C8H14NO- — CID 102466069

IUPAC(Z)-4-propan-2-yliminopent-2-en-2-olate
SMILESC/C([O-])=C/C(C)=N/C(C)C
InChIInChI=1S/C8H15NO/c1-6(2)9-7(3)5-8(4)10/h5-6,10H,1-4H3/p-1/b8-5-,9-7+
InChIKeyMNQCKBHJGZAVPU-ANVCMGODSA-M
MW140.21 g/mol
LogP1.12
Rot. Bonds2

About (Z)-4-propan-2-yliminopent-2-en-2-olate

(Z)-4-propan-2-yliminopent-2-en-2-olate (PubChem CID 102466069) has the molecular formula C8H14NO- and a molecular weight of 140.21 g/mol. Its IUPAC name is (Z)-4-propan-2-yliminopent-2-en-2-olate.

Molecular Properties

Compound Name(Z)-4-propan-2-yliminopent-2-en-2-olate
PubChem CID102466069
Molecular FormulaC8H14NO-
Molecular Weight140.21 g/mol
Exact Mass140.11
IUPAC Name(Z)-4-propan-2-yliminopent-2-en-2-olate
SMILESC/C([O-])=C/C(C)=N/C(C)C
InChIInChI=1S/C8H15NO/c1-6(2)9-7(3)5-8(4)10/h5-6,10H,1-4H3/p-1/b8-5-,9-7+
InChIKeyMNQCKBHJGZAVPU-ANVCMGODSA-M
XLogP1.12
TPSA35.42 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.21
LogP ≤ 51.12
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'}

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Related Compounds

(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
(Z)-4-methoxy-N-methylpent-3-en-2-imine
CID 59782201
4-methoxy-N-methylpent-3-en-2-imine
CID 76089775
(E)-4-methoxy-N-methylhex-3-en-2-imine
CID 123311460
ethane;(E)-N-ethyl-4-methoxypent-3-en-2-imine
CID 142313444
(Z)-N-propan-2-ylpent-3-en-2-imine
CID 143928141
(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
(Z)-5-dimethylalumanyloxy-N-propan-2-ylhept-4-en-3-imine
CID 154587333
(Z)-4-diethylalumanyloxy-N-methylpent-3-en-2-imine
CID 154587343

Frequently Asked Questions

What is the IUPAC name of (Z)-4-propan-2-yliminopent-2-en-2-olate?
The IUPAC name of (Z)-4-propan-2-yliminopent-2-en-2-olate (CID 102466069) is (Z)-4-propan-2-yliminopent-2-en-2-olate.
What is the SMILES notation for (Z)-4-propan-2-yliminopent-2-en-2-olate?
The canonical SMILES for (Z)-4-propan-2-yliminopent-2-en-2-olate is C/C([O-])=C/C(C)=N/C(C)C.
What is the InChIKey of (Z)-4-propan-2-yliminopent-2-en-2-olate?
The InChIKey is MNQCKBHJGZAVPU-ANVCMGODSA-M. The full InChI is InChI=1S/C8H15NO/c1-6(2)9-7(3)5-8(4)10/h5-6,10H,1-4H3/p-1/b8-5-,9-7+.
What are the key properties of (Z)-4-propan-2-yliminopent-2-en-2-olate?
(Z)-4-propan-2-yliminopent-2-en-2-olate has a molecular weight of 140.21 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-propan-2-yliminopent-2-en-2-olate is sourced from PubChem (CID 102466069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).