1-(2,3-dihydro-1H-inden-5-ylcarbamoyl)cyclobutane-1-carboxylic acid

C15H17NO3 — CID 62095213

IUPAC1-(2,3-dihydro-1H-inden-5-ylcarbamoyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)Nc2ccc3c(c2)CCC3)CCC1
InChIInChI=1S/C15H17NO3/c17-13(15(14(18)19)7-2-8-15)16-12-6-5-10-3-1-4-11(10)9-12/h5-6,9H,1-4,7-8H2,(H,16,17)(H,18,19)
InChIKeyNJNMOBWFOJLEKO-UHFFFAOYSA-N
MW259.30 g/mol
LogP2.37
Rot. Bonds3

About 1-(2,3-dihydro-1H-inden-5-ylcarbamoyl)cyclobutane-1-carboxylic acid

1-(2,3-dihydro-1H-inden-5-ylcarbamoyl)cyclobutane-1-carboxylic acid (PubChem CID 62095213) has the molecular formula C15H17NO3 and a molecular weight of 259.30 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-ylcarbamoyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-ylcarbamoyl)cyclobutane-1-carboxylic acid
PubChem CID62095213
Molecular FormulaC15H17NO3
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Name1-(2,3-dihydro-1H-inden-5-ylcarbamoyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)Nc2ccc3c(c2)CCC3)CCC1
InChIInChI=1S/C15H17NO3/c17-13(15(14(18)19)7-2-8-15)16-12-6-5-10-3-1-4-11(10)9-12/h5-6,9H,1-4,7-8H2,(H,16,17)(H,18,19)
InChIKeyNJNMOBWFOJLEKO-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dihydro-1H-inden-5-yl)-2-oxoacetamide
CID 115165888
(5S,7R)-N-(2,3-dihydro-1H-inden-5-yl)-3-hydroxyadamantane-1-carboxamide
CID 8920748
1-[(3-fluoro-4-methylphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 62096062
N-(2,3-dihydro-1H-inden-5-yl)-2-hydrazinyl-2-oxoacetamide
CID 43163947
1-(9H-fluoren-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 75418599
1-acetyl-N-(2,3-dihydro-1H-inden-5-yl)-4-phenylpiperidine-4-carboxamide
CID 9141961
2-[1-(aminomethyl)cyclobutyl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 81167866
1-amino-3-(5,6,7,8-tetrahydronaphthalen-2-yl)urea
CID 115192342
1-[(2-methyl-4-pyridinyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 79240228
1-(2,3-dihydro-1H-inden-5-yl)-3-spiro[2.5]octan-6-ylurea
CID 166229686
N-(5,6,7,8-tetrahydronaphthalen-2-yl)propanamide
CID 59873074
N-(2,3-dihydro-1H-inden-5-yl)-2-sulfanylacetamide
CID 60650065

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-ylcarbamoyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-ylcarbamoyl)cyclobutane-1-carboxylic acid (CID 62095213) is 1-(2,3-dihydro-1H-inden-5-ylcarbamoyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-ylcarbamoyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-ylcarbamoyl)cyclobutane-1-carboxylic acid is O=C(O)C1(C(=O)Nc2ccc3c(c2)CCC3)CCC1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-ylcarbamoyl)cyclobutane-1-carboxylic acid?
The InChIKey is NJNMOBWFOJLEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c17-13(15(14(18)19)7-2-8-15)16-12-6-5-10-3-1-4-11(10)9-12/h5-6,9H,1-4,7-8H2,(H,16,17)(H,18,19).
What are the key properties of 1-(2,3-dihydro-1H-inden-5-ylcarbamoyl)cyclobutane-1-carboxylic acid?
1-(2,3-dihydro-1H-inden-5-ylcarbamoyl)cyclobutane-1-carboxylic acid has a molecular weight of 259.30 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-ylcarbamoyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 62095213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).