7-prop-2-enoyl-7-azaspiro[3.5]nonane-2-carboxylic acid

C12H17NO3 — CID 155822726

IUPAC7-prop-2-enoyl-7-azaspiro[3.5]nonane-2-carboxylic acid
SMILESC=CC(=O)N1CCC2(CC1)CC(C(=O)O)C2
InChIInChI=1S/C12H17NO3/c1-2-10(14)13-5-3-12(4-6-13)7-9(8-12)11(15)16/h2,9H,1,3-8H2,(H,15,16)
InChIKeyZXYWTNXEKOHFST-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.28
Rot. Bonds2

About 7-prop-2-enoyl-7-azaspiro[3.5]nonane-2-carboxylic acid

7-prop-2-enoyl-7-azaspiro[3.5]nonane-2-carboxylic acid (PubChem CID 155822726) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 7-prop-2-enoyl-7-azaspiro[3.5]nonane-2-carboxylic acid.

Molecular Properties

Compound Name7-prop-2-enoyl-7-azaspiro[3.5]nonane-2-carboxylic acid
PubChem CID155822726
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name7-prop-2-enoyl-7-azaspiro[3.5]nonane-2-carboxylic acid
SMILESC=CC(=O)N1CCC2(CC1)CC(C(=O)O)C2
InChIInChI=1S/C12H17NO3/c1-2-10(14)13-5-3-12(4-6-13)7-9(8-12)11(15)16/h2,9H,1,3-8H2,(H,15,16)
InChIKeyZXYWTNXEKOHFST-UHFFFAOYSA-N
XLogP1.28
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-prop-2-enoyl-7-azaspiro[3.5]nonane-2-carboxylic acid?
The IUPAC name of 7-prop-2-enoyl-7-azaspiro[3.5]nonane-2-carboxylic acid (CID 155822726) is 7-prop-2-enoyl-7-azaspiro[3.5]nonane-2-carboxylic acid.
What is the SMILES notation for 7-prop-2-enoyl-7-azaspiro[3.5]nonane-2-carboxylic acid?
The canonical SMILES for 7-prop-2-enoyl-7-azaspiro[3.5]nonane-2-carboxylic acid is C=CC(=O)N1CCC2(CC1)CC(C(=O)O)C2.
What is the InChIKey of 7-prop-2-enoyl-7-azaspiro[3.5]nonane-2-carboxylic acid?
The InChIKey is ZXYWTNXEKOHFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-2-10(14)13-5-3-12(4-6-13)7-9(8-12)11(15)16/h2,9H,1,3-8H2,(H,15,16).
What are the key properties of 7-prop-2-enoyl-7-azaspiro[3.5]nonane-2-carboxylic acid?
7-prop-2-enoyl-7-azaspiro[3.5]nonane-2-carboxylic acid has a molecular weight of 223.27 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-prop-2-enoyl-7-azaspiro[3.5]nonane-2-carboxylic acid is sourced from PubChem (CID 155822726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).