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

C19H18N4O2 — CID 11142216

IUPACmethyl 2-azido-2-[1-(benzhydrylideneamino)cyclopropyl]acetate
SMILESCOC(=O)C(N=[N+]=[N-])C1(N=C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C19H18N4O2/c1-25-18(24)17(22-23-20)19(12-13-19)21-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,17H,12-13H2,1H3
InChIKeyBJSVUUIBWBSSJK-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.91
Rot. Bonds6

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

methyl 2-azido-2-[1-(benzhydrylideneamino)cyclopropyl]acetate (PubChem CID 11142216) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is methyl 2-azido-2-[1-(benzhydrylideneamino)cyclopropyl]acetate.

Molecular Properties

Compound Namemethyl 2-azido-2-[1-(benzhydrylideneamino)cyclopropyl]acetate
PubChem CID11142216
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Namemethyl 2-azido-2-[1-(benzhydrylideneamino)cyclopropyl]acetate
SMILESCOC(=O)C(N=[N+]=[N-])C1(N=C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C19H18N4O2/c1-25-18(24)17(22-23-20)19(12-13-19)21-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,17H,12-13H2,1H3
InChIKeyBJSVUUIBWBSSJK-UHFFFAOYSA-N
XLogP3.91
TPSA87.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-azido-2-[1-(benzhydrylideneamino)cyclopropyl]acetate?
The IUPAC name of methyl 2-azido-2-[1-(benzhydrylideneamino)cyclopropyl]acetate (CID 11142216) is methyl 2-azido-2-[1-(benzhydrylideneamino)cyclopropyl]acetate.
What is the SMILES notation for methyl 2-azido-2-[1-(benzhydrylideneamino)cyclopropyl]acetate?
The canonical SMILES for methyl 2-azido-2-[1-(benzhydrylideneamino)cyclopropyl]acetate is COC(=O)C(N=[N+]=[N-])C1(N=C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of methyl 2-azido-2-[1-(benzhydrylideneamino)cyclopropyl]acetate?
The InChIKey is BJSVUUIBWBSSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-25-18(24)17(22-23-20)19(12-13-19)21-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,17H,12-13H2,1H3.
What are the key properties of methyl 2-azido-2-[1-(benzhydrylideneamino)cyclopropyl]acetate?
methyl 2-azido-2-[1-(benzhydrylideneamino)cyclopropyl]acetate has a molecular weight of 334.38 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-azido-2-[1-(benzhydrylideneamino)cyclopropyl]acetate is sourced from PubChem (CID 11142216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).