ethyl 1-phenylcyclobutane-1-carboximidate

C13H17NO — CID 63079703

IUPACethyl 1-phenylcyclobutane-1-carboximidate
SMILES[H]/N=C(\OCC)C1(c2ccccc2)CCC1
InChIInChI=1S/C13H17NO/c1-2-15-12(14)13(9-6-10-13)11-7-4-3-5-8-11/h3-5,7-8,14H,2,6,9-10H2,1H3/b14-12-
InChIKeyRELPSDPAMKQUAX-OWBHPGMISA-N
MW203.28 g/mol
LogP3.12
Rot. Bonds3

About ethyl 1-phenylcyclobutane-1-carboximidate

ethyl 1-phenylcyclobutane-1-carboximidate (PubChem CID 63079703) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is ethyl 1-phenylcyclobutane-1-carboximidate.

Molecular Properties

Compound Nameethyl 1-phenylcyclobutane-1-carboximidate
PubChem CID63079703
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Nameethyl 1-phenylcyclobutane-1-carboximidate
SMILES[H]/N=C(\OCC)C1(c2ccccc2)CCC1
InChIInChI=1S/C13H17NO/c1-2-15-12(14)13(9-6-10-13)11-7-4-3-5-8-11/h3-5,7-8,14H,2,6,9-10H2,1H3/b14-12-
InChIKeyRELPSDPAMKQUAX-OWBHPGMISA-N
XLogP3.12
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

ethyl 1-phenylcyclopropane-1-carboximidate
CID 63079702
1-(1-phenylcyclobutyl)ethanimine
CID 58488751
1-phenylcyclobutane-1-carboximidamide
CID 46941849
N,N-diethyl-1-phenylcyclobutane-1-carboximidamide
CID 63179800
N,N-dimethyl-1-phenylcyclopentane-1-carboximidamide
CID 63179364
ethyl 4-oxo-4-(1-phenylcyclopropyl)butanoate
CID 66323170
butyl 1-phenylcyclobutane-1-carboxylate
CID 112724955
(1-phenylcyclobutyl)-piperidin-1-ylmethanimine
CID 63179669
2-ethoxy-1-(1-phenylcyclopentyl)ethanone
CID 79567147
(4-ethoxyphenyl)-(1-phenylcyclobutyl)methanone
CID 63410078
1-(1-phenylcyclopentyl)propan-1-one
CID 63080096
N-ethyl-N,1-diphenylcyclobutane-1-carboxamide
CID 69093061

Frequently Asked Questions

What is the IUPAC name of ethyl 1-phenylcyclobutane-1-carboximidate?
The IUPAC name of ethyl 1-phenylcyclobutane-1-carboximidate (CID 63079703) is ethyl 1-phenylcyclobutane-1-carboximidate.
What is the SMILES notation for ethyl 1-phenylcyclobutane-1-carboximidate?
The canonical SMILES for ethyl 1-phenylcyclobutane-1-carboximidate is [H]/N=C(\OCC)C1(c2ccccc2)CCC1.
What is the InChIKey of ethyl 1-phenylcyclobutane-1-carboximidate?
The InChIKey is RELPSDPAMKQUAX-OWBHPGMISA-N. The full InChI is InChI=1S/C13H17NO/c1-2-15-12(14)13(9-6-10-13)11-7-4-3-5-8-11/h3-5,7-8,14H,2,6,9-10H2,1H3/b14-12-.
What are the key properties of ethyl 1-phenylcyclobutane-1-carboximidate?
ethyl 1-phenylcyclobutane-1-carboximidate has a molecular weight of 203.28 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-phenylcyclobutane-1-carboximidate is sourced from PubChem (CID 63079703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).