2-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoyl)cyclopropane-1-carboxylic acid

C15H17NO3 — CID 60791578

IUPAC2-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)Nc1cccc2c1CCCC2
InChIInChI=1S/C15H17NO3/c17-14(11-8-12(11)15(18)19)16-13-7-3-5-9-4-1-2-6-10(9)13/h3,5,7,11-12H,1-2,4,6,8H2,(H,16,17)(H,18,19)
InChIKeyFFVYCKPBPIHQQN-UHFFFAOYSA-N
MW259.30 g/mol
LogP2.22
Rot. Bonds3

About 2-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoyl)cyclopropane-1-carboxylic acid

2-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoyl)cyclopropane-1-carboxylic acid (PubChem CID 60791578) has the molecular formula C15H17NO3 and a molecular weight of 259.30 g/mol. Its IUPAC name is 2-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoyl)cyclopropane-1-carboxylic acid
PubChem CID60791578
Molecular FormulaC15H17NO3
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Name2-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)Nc1cccc2c1CCCC2
InChIInChI=1S/C15H17NO3/c17-14(11-8-12(11)15(18)19)16-13-7-3-5-9-4-1-2-6-10(9)13/h3,5,7,11-12H,1-2,4,6,8H2,(H,16,17)(H,18,19)
InChIKeyFFVYCKPBPIHQQN-UHFFFAOYSA-N
XLogP2.22
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoyl)cyclopropane-1-carboxylic acid (CID 60791578) is 2-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoyl)cyclopropane-1-carboxylic acid is O=C(O)C1CC1C(=O)Nc1cccc2c1CCCC2.
What is the InChIKey of 2-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoyl)cyclopropane-1-carboxylic acid?
The InChIKey is FFVYCKPBPIHQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c17-14(11-8-12(11)15(18)19)16-13-7-3-5-9-4-1-2-6-10(9)13/h3,5,7,11-12H,1-2,4,6,8H2,(H,16,17)(H,18,19).
What are the key properties of 2-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoyl)cyclopropane-1-carboxylic acid?
2-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoyl)cyclopropane-1-carboxylic acid has a molecular weight of 259.30 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 60791578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).