1-amino-2-prop-2-enyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid

C14H17NO2 — CID 70071453

IUPAC1-amino-2-prop-2-enyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
SMILESC=CCC1CCc2ccccc2C1(N)C(=O)O
InChIInChI=1S/C14H17NO2/c1-2-5-11-9-8-10-6-3-4-7-12(10)14(11,15)13(16)17/h2-4,6-7,11H,1,5,8-9,15H2,(H,16,17)
InChIKeyZEWHBXJZWBUWDT-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.06
Rot. Bonds3

About 1-amino-2-prop-2-enyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid

1-amino-2-prop-2-enyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid (PubChem CID 70071453) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 1-amino-2-prop-2-enyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid.

Molecular Properties

Compound Name1-amino-2-prop-2-enyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
PubChem CID70071453
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name1-amino-2-prop-2-enyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
SMILESC=CCC1CCc2ccccc2C1(N)C(=O)O
InChIInChI=1S/C14H17NO2/c1-2-5-11-9-8-10-6-3-4-7-12(10)14(11,15)13(16)17/h2-4,6-7,11H,1,5,8-9,15H2,(H,16,17)
InChIKeyZEWHBXJZWBUWDT-UHFFFAOYSA-N
XLogP2.06
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-prop-2-enyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
The IUPAC name of 1-amino-2-prop-2-enyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid (CID 70071453) is 1-amino-2-prop-2-enyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid.
What is the SMILES notation for 1-amino-2-prop-2-enyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
The canonical SMILES for 1-amino-2-prop-2-enyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid is C=CCC1CCc2ccccc2C1(N)C(=O)O.
What is the InChIKey of 1-amino-2-prop-2-enyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
The InChIKey is ZEWHBXJZWBUWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-2-5-11-9-8-10-6-3-4-7-12(10)14(11,15)13(16)17/h2-4,6-7,11H,1,5,8-9,15H2,(H,16,17).
What are the key properties of 1-amino-2-prop-2-enyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid?
1-amino-2-prop-2-enyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid has a molecular weight of 231.29 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-prop-2-enyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid is sourced from PubChem (CID 70071453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).