ethyl 2-(4-iminocyclohex-2-en-1-yl)-3-phenylcyclopropane-1-carboxylate

C18H21NO2 — CID 123779385

IUPACethyl 2-(4-iminocyclohex-2-en-1-yl)-3-phenylcyclopropane-1-carboxylate
SMILES[H]/N=C1/C=CC(C2C(C(=O)OCC)C2c2ccccc2)CC1
InChIInChI=1S/C18H21NO2/c1-2-21-18(20)17-15(12-6-4-3-5-7-12)16(17)13-8-10-14(19)11-9-13/h3-8,10,13,15-17,19H,2,9,11H2,1H3/b19-14-
InChIKeyJMJPPZSTCUPYTQ-RGEXLXHISA-N
MW283.37 g/mol
LogP3.57
Rot. Bonds4

About ethyl 2-(4-iminocyclohex-2-en-1-yl)-3-phenylcyclopropane-1-carboxylate

ethyl 2-(4-iminocyclohex-2-en-1-yl)-3-phenylcyclopropane-1-carboxylate (PubChem CID 123779385) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is ethyl 2-(4-iminocyclohex-2-en-1-yl)-3-phenylcyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-iminocyclohex-2-en-1-yl)-3-phenylcyclopropane-1-carboxylate
PubChem CID123779385
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Nameethyl 2-(4-iminocyclohex-2-en-1-yl)-3-phenylcyclopropane-1-carboxylate
SMILES[H]/N=C1/C=CC(C2C(C(=O)OCC)C2c2ccccc2)CC1
InChIInChI=1S/C18H21NO2/c1-2-21-18(20)17-15(12-6-4-3-5-7-12)16(17)13-8-10-14(19)11-9-13/h3-8,10,13,15-17,19H,2,9,11H2,1H3/b19-14-
InChIKeyJMJPPZSTCUPYTQ-RGEXLXHISA-N
XLogP3.57
TPSA50.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 15261796
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CID 13065907
ethyl (1R,2R,3R)-2-(4-bromophenyl)-3-phenylcyclopropane-1-carboxylate
CID 90209349
ethyl 2-(2-methylphenyl)-3-phenylcyclopropane-1-carboxylate
CID 77467095
ethyl 2-(2-bromophenyl)-3-phenylcyclopropane-1-carboxylate
CID 142718704
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CID 723569
ethyl 4-phenylcyclohexane-1-carboxylate
CID 15047124
ethyl (1R,2R,3R)-2-(5-chloro-3-pyridinyl)-3-phenylcyclopropane-1-carboxylate
CID 86721177
ethyl 2-(4-nitrophenyl)-3-phenylcyclopropane-1-carboxylate
CID 142718690
ethyl (1aR,7aS)-1a,2,7,7a-tetrahydro-1H-cyclopropa[b]naphthalene-1-carboxylate
CID 10488912
ethyl (3R,4R,5R)-5-benzoyl-2-imino-4-phenylthiolane-3-carboxylate
CID 6959903
ethyl (1R,2R,3S)-2-(2-bromo-1,3-thiazol-5-yl)-3-phenylcyclopropane-1-carboxylate
CID 90071074

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-iminocyclohex-2-en-1-yl)-3-phenylcyclopropane-1-carboxylate?
The IUPAC name of ethyl 2-(4-iminocyclohex-2-en-1-yl)-3-phenylcyclopropane-1-carboxylate (CID 123779385) is ethyl 2-(4-iminocyclohex-2-en-1-yl)-3-phenylcyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2-(4-iminocyclohex-2-en-1-yl)-3-phenylcyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2-(4-iminocyclohex-2-en-1-yl)-3-phenylcyclopropane-1-carboxylate is [H]/N=C1/C=CC(C2C(C(=O)OCC)C2c2ccccc2)CC1.
What is the InChIKey of ethyl 2-(4-iminocyclohex-2-en-1-yl)-3-phenylcyclopropane-1-carboxylate?
The InChIKey is JMJPPZSTCUPYTQ-RGEXLXHISA-N. The full InChI is InChI=1S/C18H21NO2/c1-2-21-18(20)17-15(12-6-4-3-5-7-12)16(17)13-8-10-14(19)11-9-13/h3-8,10,13,15-17,19H,2,9,11H2,1H3/b19-14-.
What are the key properties of ethyl 2-(4-iminocyclohex-2-en-1-yl)-3-phenylcyclopropane-1-carboxylate?
ethyl 2-(4-iminocyclohex-2-en-1-yl)-3-phenylcyclopropane-1-carboxylate has a molecular weight of 283.37 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-iminocyclohex-2-en-1-yl)-3-phenylcyclopropane-1-carboxylate is sourced from PubChem (CID 123779385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).