N-(1-cyclopropylethylideneamino)-3-hydroxybenzamide

C12H14N2O2 — CID 780352

IUPACN-(1-cyclopropylethylideneamino)-3-hydroxybenzamide
SMILESCC(=NNC(=O)c1cccc(O)c1)C1CC1
InChIInChI=1S/C12H14N2O2/c1-8(9-5-6-9)13-14-12(16)10-3-2-4-11(15)7-10/h2-4,7,9,15H,5-6H2,1H3,(H,14,16)
InChIKeySJRBZFMKTDUOPA-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.91
Rot. Bonds3

About N-(1-cyclopropylethylideneamino)-3-hydroxybenzamide

N-(1-cyclopropylethylideneamino)-3-hydroxybenzamide (PubChem CID 780352) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is N-(1-cyclopropylethylideneamino)-3-hydroxybenzamide.

Molecular Properties

Compound NameN-(1-cyclopropylethylideneamino)-3-hydroxybenzamide
PubChem CID780352
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC NameN-(1-cyclopropylethylideneamino)-3-hydroxybenzamide
SMILESCC(=NNC(=O)c1cccc(O)c1)C1CC1
InChIInChI=1S/C12H14N2O2/c1-8(9-5-6-9)13-14-12(16)10-3-2-4-11(15)7-10/h2-4,7,9,15H,5-6H2,1H3,(H,14,16)
InChIKeySJRBZFMKTDUOPA-UHFFFAOYSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-cyclopropylethylideneamino]-3-nitrobenzamide
CID 5396770
(2E)-2-[(3-hydroxybenzoyl)hydrazinylidene]propanoic acid
CID 102524211
3-hydroxy-N-(1,1,1-trifluoropropan-2-ylideneamino)benzamide
CID 3442645
N-[1-(3-hydroxyphenyl)ethylideneamino]naphthalene-2-carboxamide
CID 139767693
3,5-dihydroxy-N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]benzamide
CID 17126860
4-chloro-N-[(Z)-1-cyclopropylethylideneamino]benzamide
CID 5398069
N-acetyl-3-hydroxybenzamide
CID 130011909
N-[(E)-1-(1-adamantyl)propylideneamino]-3-hydroxybenzamide
CID 7784436
2-chloro-N-[(Z)-1-cyclopropylethylideneamino]benzamide
CID 5417719
N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]cyclohexanecarboxamide
CID 19685369
N-[1-(3-hydroxyphenyl)ethylideneamino]-1,3-benzodioxole-5-carboxamide
CID 4103586
3-bromo-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]-4-methylbenzamide
CID 54777660

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethylideneamino)-3-hydroxybenzamide?
The IUPAC name of N-(1-cyclopropylethylideneamino)-3-hydroxybenzamide (CID 780352) is N-(1-cyclopropylethylideneamino)-3-hydroxybenzamide.
What is the SMILES notation for N-(1-cyclopropylethylideneamino)-3-hydroxybenzamide?
The canonical SMILES for N-(1-cyclopropylethylideneamino)-3-hydroxybenzamide is CC(=NNC(=O)c1cccc(O)c1)C1CC1.
What is the InChIKey of N-(1-cyclopropylethylideneamino)-3-hydroxybenzamide?
The InChIKey is SJRBZFMKTDUOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-8(9-5-6-9)13-14-12(16)10-3-2-4-11(15)7-10/h2-4,7,9,15H,5-6H2,1H3,(H,14,16).
What are the key properties of N-(1-cyclopropylethylideneamino)-3-hydroxybenzamide?
N-(1-cyclopropylethylideneamino)-3-hydroxybenzamide has a molecular weight of 218.26 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethylideneamino)-3-hydroxybenzamide is sourced from PubChem (CID 780352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).