ethyl 2-chloroimino-4-ethylhex-3-enoate

C10H16ClNO2 — CID 153262085

IUPACethyl 2-chloroimino-4-ethylhex-3-enoate
SMILESCCOC(=O)C(C=C(CC)CC)=NCl
InChIInChI=1S/C10H16ClNO2/c1-4-8(5-2)7-9(12-11)10(13)14-6-3/h7H,4-6H2,1-3H3
InChIKeyWVLGVCYDWPOUAX-UHFFFAOYSA-N
MW217.70 g/mol
LogP2.89
Rot. Bonds5

About ethyl 2-chloroimino-4-ethylhex-3-enoate

ethyl 2-chloroimino-4-ethylhex-3-enoate (PubChem CID 153262085) has the molecular formula C10H16ClNO2 and a molecular weight of 217.70 g/mol. Its IUPAC name is ethyl 2-chloroimino-4-ethylhex-3-enoate.

Molecular Properties

Compound Nameethyl 2-chloroimino-4-ethylhex-3-enoate
PubChem CID153262085
Molecular FormulaC10H16ClNO2
Molecular Weight217.70 g/mol
Exact Mass217.09
IUPAC Nameethyl 2-chloroimino-4-ethylhex-3-enoate
SMILESCCOC(=O)C(C=C(CC)CC)=NCl
InChIInChI=1S/C10H16ClNO2/c1-4-8(5-2)7-9(12-11)10(13)14-6-3/h7H,4-6H2,1-3H3
InChIKeyWVLGVCYDWPOUAX-UHFFFAOYSA-N
XLogP2.89
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.70
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl 2-chloroimino-4-ethylhex-3-enoate 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

ethyl 4-chloro-2-methyliminopent-3-enoate
CID 123813090
ethyl (2E)-2-hydroxyiminobut-3-enoate
CID 138059477
diethyl 2,5-dihydroxyhexa-2,4-dienedioate
CID 54729640
CID 159370772
CID 159370772
ethyl (2Z)-2-ethylidene-3-oxopentanoate
CID 58198751
ethyl 2-iodo-2-oxoacetate
CID 13205341
diethyl (E,4E)-4-hydroxyiminopent-2-enedioate
CID 6405713
2-ethylbut-1-en-1-amine;ethyl 2-methylprop-2-enoate
CID 175401035
(E)-3-chloro-4-ethoxy-4-oxobut-2-enoic acid
CID 119098846
ethyl 2-chloro-2-oxoacetate;hydrate
CID 174430956
diethyl (2E,4E)-2,3,4,5-tetraethylhexa-2,4-dienedioate
CID 101172123
diethyl 2-amino-3-chlorobut-2-enedioate
CID 71341053

Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloroimino-4-ethylhex-3-enoate?
The IUPAC name of ethyl 2-chloroimino-4-ethylhex-3-enoate (CID 153262085) is ethyl 2-chloroimino-4-ethylhex-3-enoate.
What is the SMILES notation for ethyl 2-chloroimino-4-ethylhex-3-enoate?
The canonical SMILES for ethyl 2-chloroimino-4-ethylhex-3-enoate is CCOC(=O)C(C=C(CC)CC)=NCl.
What is the InChIKey of ethyl 2-chloroimino-4-ethylhex-3-enoate?
The InChIKey is WVLGVCYDWPOUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClNO2/c1-4-8(5-2)7-9(12-11)10(13)14-6-3/h7H,4-6H2,1-3H3.
What are the key properties of ethyl 2-chloroimino-4-ethylhex-3-enoate?
ethyl 2-chloroimino-4-ethylhex-3-enoate has a molecular weight of 217.70 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chloroimino-4-ethylhex-3-enoate is sourced from PubChem (CID 153262085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).