(E)-3-methyl-N-oxidopent-3-en-2-imine

C6H10NO- — CID 91517493

IUPAC(E)-3-methyl-N-oxidopent-3-en-2-imine
SMILESC/C=C(C)/C(C)=N\[O-]
InChIInChI=1S/C6H11NO/c1-4-5(2)6(3)7-8/h4,8H,1-3H3/p-1/b5-4+,7-6-
InChIKeyBFTRXKSWPRFRFL-DEQVHDEQSA-M
MW112.15 g/mol
LogP1.91
Rot. Bonds1

About (E)-3-methyl-N-oxidopent-3-en-2-imine

(E)-3-methyl-N-oxidopent-3-en-2-imine (PubChem CID 91517493) has the molecular formula C6H10NO- and a molecular weight of 112.15 g/mol. Its IUPAC name is (E)-3-methyl-N-oxidopent-3-en-2-imine.

Molecular Properties

Compound Name(E)-3-methyl-N-oxidopent-3-en-2-imine
PubChem CID91517493
Molecular FormulaC6H10NO-
Molecular Weight112.15 g/mol
Exact Mass112.08
IUPAC Name(E)-3-methyl-N-oxidopent-3-en-2-imine
SMILESC/C=C(C)/C(C)=N\[O-]
InChIInChI=1S/C6H11NO/c1-4-5(2)6(3)7-8/h4,8H,1-3H3/p-1/b5-4+,7-6-
InChIKeyBFTRXKSWPRFRFL-DEQVHDEQSA-M
XLogP1.91
TPSA35.42 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.15
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-3-methyl-N-oxidopent-3-en-2-imine 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

3-Penten-2-one, 4-methyl-, oxime
CID 5931666
(NE)-N-(2-methylcyclohex-2-en-1-ylidene)hydroxylamine
CID 12936816
(NE)-N-(3-methylcyclohex-2-en-1-ylidene)hydroxylamine
CID 11804758
(NE)-N-[(E)-3-methylpent-3-en-2-ylidene]hydroxylamine
CID 19602983
(NE)-N-[(E)-hex-4-en-3-ylidene]hydroxylamine
CID 44450368
6-Methylhept-5-en-2-one oxime
CID 90779
(NZ)-N-(4-methylpent-3-en-2-ylidene)hydroxylamine
CID 5369105
3-Penten-2-one, 3-methyl-, O-methyloxime
CID 9601404
(NE)-N-(6-methylhept-5-en-2-ylidene)hydroxylamine
CID 9636360
(NE)-N-(3-methylbut-3-en-2-ylidene)hydroxylamine
CID 12500817
Isobutylidenacetonoxim
CID 76813072
(NZ)-N-[(E)-pent-3-en-2-ylidene]hydroxylamine
CID 101070438

Frequently Asked Questions

What is the IUPAC name of (E)-3-methyl-N-oxidopent-3-en-2-imine?
The IUPAC name of (E)-3-methyl-N-oxidopent-3-en-2-imine (CID 91517493) is (E)-3-methyl-N-oxidopent-3-en-2-imine.
What is the SMILES notation for (E)-3-methyl-N-oxidopent-3-en-2-imine?
The canonical SMILES for (E)-3-methyl-N-oxidopent-3-en-2-imine is C/C=C(C)/C(C)=N\[O-].
What is the InChIKey of (E)-3-methyl-N-oxidopent-3-en-2-imine?
The InChIKey is BFTRXKSWPRFRFL-DEQVHDEQSA-M. The full InChI is InChI=1S/C6H11NO/c1-4-5(2)6(3)7-8/h4,8H,1-3H3/p-1/b5-4+,7-6-.
What are the key properties of (E)-3-methyl-N-oxidopent-3-en-2-imine?
(E)-3-methyl-N-oxidopent-3-en-2-imine has a molecular weight of 112.15 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methyl-N-oxidopent-3-en-2-imine is sourced from PubChem (CID 91517493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).