6-[(E)-3-phenylprop-2-enyl]-2,6-diazaspiro[3.3]heptane-2-carboxylic acid

C15H18N2O2 — CID 146223900

IUPAC6-[(E)-3-phenylprop-2-enyl]-2,6-diazaspiro[3.3]heptane-2-carboxylic acid
SMILESO=C(O)N1CC2(CN(C/C=C/c3ccccc3)C2)C1
InChIInChI=1S/C15H18N2O2/c18-14(19)17-11-15(12-17)9-16(10-15)8-4-7-13-5-2-1-3-6-13/h1-7H,8-12H2,(H,18,19)/b7-4+
InChIKeyGQMMRMJVNHJCFT-QPJJXVBHSA-N
MW258.32 g/mol
LogP2.00
Rot. Bonds3

About 6-[(E)-3-phenylprop-2-enyl]-2,6-diazaspiro[3.3]heptane-2-carboxylic acid

6-[(E)-3-phenylprop-2-enyl]-2,6-diazaspiro[3.3]heptane-2-carboxylic acid (PubChem CID 146223900) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 6-[(E)-3-phenylprop-2-enyl]-2,6-diazaspiro[3.3]heptane-2-carboxylic acid.

Molecular Properties

Compound Name6-[(E)-3-phenylprop-2-enyl]-2,6-diazaspiro[3.3]heptane-2-carboxylic acid
PubChem CID146223900
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name6-[(E)-3-phenylprop-2-enyl]-2,6-diazaspiro[3.3]heptane-2-carboxylic acid
SMILESO=C(O)N1CC2(CN(C/C=C/c3ccccc3)C2)C1
InChIInChI=1S/C15H18N2O2/c18-14(19)17-11-15(12-17)9-16(10-15)8-4-7-13-5-2-1-3-6-13/h1-7H,8-12H2,(H,18,19)/b7-4+
InChIKeyGQMMRMJVNHJCFT-QPJJXVBHSA-N
XLogP2.00
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(E)-3-phenylprop-2-enyl]-2-azaspiro[3.3]heptane
CID 130375967
2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 12051420
N-(3-methylphenyl)-3-[2-[(E)-3-phenylprop-2-enyl]-2,6-diazaspiro[3.3]heptan-6-yl]propanamide
CID 118610816
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 43397283
3-methyl-1-[(E)-3-phenylprop-2-enyl]pyrrolidine-3-carboxylic acid
CID 55167121
2-methylsulfanyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone
CID 112790630
2-phenyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone
CID 2839064
1-(4-acetylpiperazin-1-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethane-1,2-dione
CID 108984484
3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propanoic acid
CID 67280873
1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pentane-1,4-dione
CID 110374219
(3-hydroxyoxetan-3-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 166264446
1-(3-phenylprop-2-enyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 76951361

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-3-phenylprop-2-enyl]-2,6-diazaspiro[3.3]heptane-2-carboxylic acid?
The IUPAC name of 6-[(E)-3-phenylprop-2-enyl]-2,6-diazaspiro[3.3]heptane-2-carboxylic acid (CID 146223900) is 6-[(E)-3-phenylprop-2-enyl]-2,6-diazaspiro[3.3]heptane-2-carboxylic acid.
What is the SMILES notation for 6-[(E)-3-phenylprop-2-enyl]-2,6-diazaspiro[3.3]heptane-2-carboxylic acid?
The canonical SMILES for 6-[(E)-3-phenylprop-2-enyl]-2,6-diazaspiro[3.3]heptane-2-carboxylic acid is O=C(O)N1CC2(CN(C/C=C/c3ccccc3)C2)C1.
What is the InChIKey of 6-[(E)-3-phenylprop-2-enyl]-2,6-diazaspiro[3.3]heptane-2-carboxylic acid?
The InChIKey is GQMMRMJVNHJCFT-QPJJXVBHSA-N. The full InChI is InChI=1S/C15H18N2O2/c18-14(19)17-11-15(12-17)9-16(10-15)8-4-7-13-5-2-1-3-6-13/h1-7H,8-12H2,(H,18,19)/b7-4+.
What are the key properties of 6-[(E)-3-phenylprop-2-enyl]-2,6-diazaspiro[3.3]heptane-2-carboxylic acid?
6-[(E)-3-phenylprop-2-enyl]-2,6-diazaspiro[3.3]heptane-2-carboxylic acid has a molecular weight of 258.32 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-3-phenylprop-2-enyl]-2,6-diazaspiro[3.3]heptane-2-carboxylic acid is sourced from PubChem (CID 146223900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).