N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]cyclopropanecarboxamide

C12H14N2O2 — CID 136690060

IUPACN-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]cyclopropanecarboxamide
SMILESC/C(=N/NC(=O)C1CC1)c1ccc(O)cc1
InChIInChI=1S/C12H14N2O2/c1-8(9-4-6-11(15)7-5-9)13-14-12(16)10-2-3-10/h4-7,10,15H,2-3H2,1H3,(H,14,16)/b13-8-
InChIKeyHWBHEYTWMVDSHY-JYRVWZFOSA-N
MW218.26 g/mol
LogP1.64
Rot. Bonds3

About N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]cyclopropanecarboxamide

N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]cyclopropanecarboxamide (PubChem CID 136690060) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]cyclopropanecarboxamide
PubChem CID136690060
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC NameN-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]cyclopropanecarboxamide
SMILESC/C(=N/NC(=O)C1CC1)c1ccc(O)cc1
InChIInChI=1S/C12H14N2O2/c1-8(9-4-6-11(15)7-5-9)13-14-12(16)10-2-3-10/h4-7,10,15H,2-3H2,1H3,(H,14,16)/b13-8-
InChIKeyHWBHEYTWMVDSHY-JYRVWZFOSA-N
XLogP1.64
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-1-(4-fluorophenyl)ethylideneamino]cyclopropanecarboxamide
CID 6078923
N-[(Z)-1-phenylethylideneamino]cyclopropanecarboxamide
CID 5420065
N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]cyclopropanecarboxamide
CID 6019410
(3R)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-1,1-dioxothiolane-3-carboxamide
CID 135817766
N-[(E)-1-(4-chlorophenyl)ethylideneamino]cyclopentanecarboxamide
CID 25237608
N-[(Z)-1-(3,4-difluorophenyl)ethylideneamino]cyclopropanecarboxamide
CID 9234157
4-chloro-N-[4-[(Z)-N-(cyclopropanecarbonylamino)-C-methylcarbonimidoyl]phenyl]benzamide
CID 5432243
N-[1-(2-hydroxyphenyl)ethylideneamino]cyclopropanecarboxamide
CID 3541547
N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]cyclohexanecarboxamide
CID 19685369
N-[1-(3-aminophenyl)ethylideneamino]cyclopropanecarboxamide
CID 922383
cis-(1R,2S)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 135907421
1-[(2-chloro-4-fluorophenyl)methyl]-N-[1-(4-hydroxyphenyl)ethylideneamino]piperidine-4-carboxamide
CID 5183602

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]cyclopropanecarboxamide?
The IUPAC name of N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]cyclopropanecarboxamide (CID 136690060) is N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]cyclopropanecarboxamide.
What is the SMILES notation for N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]cyclopropanecarboxamide?
The canonical SMILES for N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]cyclopropanecarboxamide is C/C(=N/NC(=O)C1CC1)c1ccc(O)cc1.
What is the InChIKey of N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]cyclopropanecarboxamide?
The InChIKey is HWBHEYTWMVDSHY-JYRVWZFOSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-8(9-4-6-11(15)7-5-9)13-14-12(16)10-2-3-10/h4-7,10,15H,2-3H2,1H3,(H,14,16)/b13-8-.
What are the key properties of N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]cyclopropanecarboxamide?
N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]cyclopropanecarboxamide has a molecular weight of 218.26 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]cyclopropanecarboxamide is sourced from PubChem (CID 136690060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).