methyl 2-[1-(benzhydrylideneamino)cyclopropyl]acetate

C19H19NO2 — CID 14340053

IUPACmethyl 2-[1-(benzhydrylideneamino)cyclopropyl]acetate
SMILESCOC(=O)CC1(N=C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C19H19NO2/c1-22-17(21)14-19(12-13-19)20-18(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11H,12-14H2,1H3
InChIKeyNAYCBCSOBYGRTM-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.62
Rot. Bonds5

About methyl 2-[1-(benzhydrylideneamino)cyclopropyl]acetate

methyl 2-[1-(benzhydrylideneamino)cyclopropyl]acetate (PubChem CID 14340053) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is methyl 2-[1-(benzhydrylideneamino)cyclopropyl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(benzhydrylideneamino)cyclopropyl]acetate
PubChem CID14340053
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Namemethyl 2-[1-(benzhydrylideneamino)cyclopropyl]acetate
SMILESCOC(=O)CC1(N=C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C19H19NO2/c1-22-17(21)14-19(12-13-19)20-18(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11H,12-14H2,1H3
InChIKeyNAYCBCSOBYGRTM-UHFFFAOYSA-N
XLogP3.62
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 2-[(diphenylmethylene)amino]-4-pentenoate
CID 10470478
Methyl 2-chloro-2-(1-(diphenylmethyleneamino)cyclopropyl)acetate
CID 10903551
Methyl 3-((diphenylmethylene)amino)propanoate
CID 10611889
Ethyl 2-((diphenylmethylene)amino)-2-ethylbutanoate
CID 10805871
Ethyl 2-((diphenylmethylene)amino)-4-methylpent-4-enoate
CID 15610108
Methyl 2-(benzhydrylideneamino)-2-methylpropanoate
CID 54247247
Methyl 2-cyclopropyl-2-((diphenylmethylene)amino)acetate
CID 162639866
2-(Benzhydrylideneamino)-2-ethyl-4-fluoro-4-methylpentanoic acid
CID 118879519
methyl (3R)-3-(benzhydrylideneamino)-5-phenyl-3-(trifluoromethyl)pent-4-ynoate
CID 166517402
Ethyl 2-(benzhydrylideneamino)-4,4-difluoro-2-methylbutanoate
CID 170347160
Methyl 3-(benzhydrylideneamino)-5-phenyl-3-(trifluoromethyl)pent-4-ynoate
CID 175457705
Methyl 2-azido-2-(1-(diphenylmethyleneamino)cyclopropyl)acetate
CID 11142216

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(benzhydrylideneamino)cyclopropyl]acetate?
The IUPAC name of methyl 2-[1-(benzhydrylideneamino)cyclopropyl]acetate (CID 14340053) is methyl 2-[1-(benzhydrylideneamino)cyclopropyl]acetate.
What is the SMILES notation for methyl 2-[1-(benzhydrylideneamino)cyclopropyl]acetate?
The canonical SMILES for methyl 2-[1-(benzhydrylideneamino)cyclopropyl]acetate is COC(=O)CC1(N=C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of methyl 2-[1-(benzhydrylideneamino)cyclopropyl]acetate?
The InChIKey is NAYCBCSOBYGRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c1-22-17(21)14-19(12-13-19)20-18(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11H,12-14H2,1H3.
What are the key properties of methyl 2-[1-(benzhydrylideneamino)cyclopropyl]acetate?
methyl 2-[1-(benzhydrylideneamino)cyclopropyl]acetate has a molecular weight of 293.37 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(benzhydrylideneamino)cyclopropyl]acetate is sourced from PubChem (CID 14340053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).