benzyl 2-prop-2-ynylidene-7-azaspiro[3.5]nonane-7-carboxylate

C19H21NO2 — CID 142325029

IUPACbenzyl 2-prop-2-ynylidene-7-azaspiro[3.5]nonane-7-carboxylate
SMILESC#CC=C1CC2(CCN(C(=O)OCc3ccccc3)CC2)C1
InChIInChI=1S/C19H21NO2/c1-2-6-17-13-19(14-17)9-11-20(12-10-19)18(21)22-15-16-7-4-3-5-8-16/h1,3-8H,9-15H2
InChIKeyDDCSTCZALGGEOL-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.76
Rot. Bonds2

About benzyl 2-prop-2-ynylidene-7-azaspiro[3.5]nonane-7-carboxylate

benzyl 2-prop-2-ynylidene-7-azaspiro[3.5]nonane-7-carboxylate (PubChem CID 142325029) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is benzyl 2-prop-2-ynylidene-7-azaspiro[3.5]nonane-7-carboxylate.

Molecular Properties

Compound Namebenzyl 2-prop-2-ynylidene-7-azaspiro[3.5]nonane-7-carboxylate
PubChem CID142325029
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Namebenzyl 2-prop-2-ynylidene-7-azaspiro[3.5]nonane-7-carboxylate
SMILESC#CC=C1CC2(CCN(C(=O)OCc3ccccc3)CC2)C1
InChIInChI=1S/C19H21NO2/c1-2-6-17-13-19(14-17)9-11-20(12-10-19)18(21)22-15-16-7-4-3-5-8-16/h1,3-8H,9-15H2
InChIKeyDDCSTCZALGGEOL-UHFFFAOYSA-N
XLogP3.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl piperidine-1-carboxylate
CID 158057698
benzyl aziridine-1-carboxylate;silane
CID 158496499
benzyl 2-(hydroxymethyl)-7-azaspiro[3.5]nonane-7-carboxylate
CID 135393412
3-ethynyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 166000661
benzyl 2-(2-hydroxyethyl)-7-azaspiro[3.5]nonane-7-carboxylate
CID 142324856
benzyl 3-prop-2-enoxy-3-prop-2-ynylpyrrolidine-1-carboxylate
CID 146277037
benzyl 2-amino-6-azaspiro[2.5]octane-6-carboxylate
CID 71302045
benzyl 4-ethynylpiperidine-1-carboxylate
CID 126797046
benzyl 4-hydroxy-4-(hydroxymethyl)piperidine-1-carboxylate;ethane
CID 143991995
benzyl 4-ethenyl-4-ethylpiperidine-1-carboxylate
CID 177321267
benzyl 2,8-diazaspiro[4.5]decane-2-carboxylate
CID 66570416

Frequently Asked Questions

What is the IUPAC name of benzyl 2-prop-2-ynylidene-7-azaspiro[3.5]nonane-7-carboxylate?
The IUPAC name of benzyl 2-prop-2-ynylidene-7-azaspiro[3.5]nonane-7-carboxylate (CID 142325029) is benzyl 2-prop-2-ynylidene-7-azaspiro[3.5]nonane-7-carboxylate.
What is the SMILES notation for benzyl 2-prop-2-ynylidene-7-azaspiro[3.5]nonane-7-carboxylate?
The canonical SMILES for benzyl 2-prop-2-ynylidene-7-azaspiro[3.5]nonane-7-carboxylate is C#CC=C1CC2(CCN(C(=O)OCc3ccccc3)CC2)C1.
What is the InChIKey of benzyl 2-prop-2-ynylidene-7-azaspiro[3.5]nonane-7-carboxylate?
The InChIKey is DDCSTCZALGGEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-2-6-17-13-19(14-17)9-11-20(12-10-19)18(21)22-15-16-7-4-3-5-8-16/h1,3-8H,9-15H2.
What are the key properties of benzyl 2-prop-2-ynylidene-7-azaspiro[3.5]nonane-7-carboxylate?
benzyl 2-prop-2-ynylidene-7-azaspiro[3.5]nonane-7-carboxylate has a molecular weight of 295.38 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-prop-2-ynylidene-7-azaspiro[3.5]nonane-7-carboxylate is sourced from PubChem (CID 142325029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).