(7Z)-1-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid

C19H31NO2 — CID 141167389

IUPAC(7Z)-1-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid
SMILESO=C(O)C12CCN3CCCC3CCCCCCC/C=C\C1C2
InChIInChI=1S/C19H31NO2/c21-18(22)19-12-14-20-13-8-11-17(20)10-7-5-3-1-2-4-6-9-16(19)15-19/h6,9,16-17H,1-5,7-8,10-15H2,(H,21,22)/b9-6-
InChIKeyXNXZLBWJPHUUGX-TWGQIWQCSA-N
MW305.46 g/mol
LogP4.23
Rot. Bonds1

About (7Z)-1-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid

(7Z)-1-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid (PubChem CID 141167389) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is (7Z)-1-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid.

Molecular Properties

Compound Name(7Z)-1-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid
PubChem CID141167389
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC Name(7Z)-1-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid
SMILESO=C(O)C12CCN3CCCC3CCCCCCC/C=C\C1C2
InChIInChI=1S/C19H31NO2/c21-18(22)19-12-14-20-13-8-11-17(20)10-7-5-3-1-2-4-6-9-16(19)15-19/h6,9,16-17H,1-5,7-8,10-15H2,(H,21,22)/b9-6-
InChIKeyXNXZLBWJPHUUGX-TWGQIWQCSA-N
XLogP4.23
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl (7Z)-1-azatricyclo[13.3.0.04,6]octadec-7-ene-4-carboxylate
CID 141120164
ethyl (7Z)-1-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylate
CID 141124001
(7Z)-1-azatricyclo[13.3.0.04,6]octadec-7-ene-4-carboxylic acid
CID 141162381
1,16-Diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid
CID 152668076
1-[(2E)-cyclooct-2-en-1-yl]-3-propylpyrrolidine-3-carboxylic acid
CID 114228010

Frequently Asked Questions

What is the IUPAC name of (7Z)-1-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid?
The IUPAC name of (7Z)-1-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid (CID 141167389) is (7Z)-1-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid.
What is the SMILES notation for (7Z)-1-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid?
The canonical SMILES for (7Z)-1-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid is O=C(O)C12CCN3CCCC3CCCCCCC/C=C\C1C2.
What is the InChIKey of (7Z)-1-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid?
The InChIKey is XNXZLBWJPHUUGX-TWGQIWQCSA-N. The full InChI is InChI=1S/C19H31NO2/c21-18(22)19-12-14-20-13-8-11-17(20)10-7-5-3-1-2-4-6-9-16(19)15-19/h6,9,16-17H,1-5,7-8,10-15H2,(H,21,22)/b9-6-.
What are the key properties of (7Z)-1-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid?
(7Z)-1-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid has a molecular weight of 305.46 g/mol, XLogP of 4.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-1-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acid is sourced from PubChem (CID 141167389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).