1-naphthalen-2-ylcyclopropane-1-carboxylic acid

C14H12O2 — CID 23568520

IUPAC1-naphthalen-2-ylcyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc3ccccc3c2)CC1
InChIInChI=1S/C14H12O2/c15-13(16)14(7-8-14)12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9H,7-8H2,(H,15,16)
InChIKeyMBNILIMKOCLKMN-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.96
Rot. Bonds2

About 1-naphthalen-2-ylcyclopropane-1-carboxylic acid

1-naphthalen-2-ylcyclopropane-1-carboxylic acid (PubChem CID 23568520) has the molecular formula C14H12O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 1-naphthalen-2-ylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-naphthalen-2-ylcyclopropane-1-carboxylic acid
PubChem CID23568520
Molecular FormulaC14H12O2
Molecular Weight212.25 g/mol
Exact Mass212.08
IUPAC Name1-naphthalen-2-ylcyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc3ccccc3c2)CC1
InChIInChI=1S/C14H12O2/c15-13(16)14(7-8-14)12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9H,7-8H2,(H,15,16)
InChIKeyMBNILIMKOCLKMN-UHFFFAOYSA-N
XLogP2.96
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-naphthalen-2-ylpiperidine-3-carboxylic acid
CID 117050280
1-(5-hydroxynaphthalen-2-yl)cyclopropane-1-carboxylic acid
CID 105485387
1-isoquinolin-6-ylcyclopentane-1-carboxylic acid
CID 117355313
1-(1-naphthalen-2-ylcyclobutyl)propan-1-one
CID 174403861
1-(1-naphthalen-2-ylcyclopentyl)oxycarbonylcyclopentane-1-carboxylic acid
CID 170443114
1-butoxycarbonyl-4-naphthalen-2-ylpiperidine-4-carboxylic acid
CID 19044683
3,3-difluoro-1-naphthalen-2-ylcyclobutane-1-carboxylate
CID 152763635
1-(9H-fluoren-9-ylmethoxycarbonyl)-4-naphthalen-2-ylpiperidine-4-carboxylic acid
CID 74892117
cis-(1S,2R)-2-hydroxy-1-naphthalen-2-ylcyclohexane-1-carboxylic acid
CID 68673102
2-phenyl-1,3-dihydrocyclopenta[b]naphthalene-2-carboxylic acid
CID 142689908
CID 160637890
CID 160637890
1-(3-phenyl-4-propan-2-ylphenyl)cyclopropane-1-carboxylic acid
CID 117450257

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-ylcyclopropane-1-carboxylic acid?
The IUPAC name of 1-naphthalen-2-ylcyclopropane-1-carboxylic acid (CID 23568520) is 1-naphthalen-2-ylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-naphthalen-2-ylcyclopropane-1-carboxylic acid?
The canonical SMILES for 1-naphthalen-2-ylcyclopropane-1-carboxylic acid is O=C(O)C1(c2ccc3ccccc3c2)CC1.
What is the InChIKey of 1-naphthalen-2-ylcyclopropane-1-carboxylic acid?
The InChIKey is MBNILIMKOCLKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2/c15-13(16)14(7-8-14)12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9H,7-8H2,(H,15,16).
What are the key properties of 1-naphthalen-2-ylcyclopropane-1-carboxylic acid?
1-naphthalen-2-ylcyclopropane-1-carboxylic acid has a molecular weight of 212.25 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-ylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 23568520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).