3-(cyclopropanecarbonylamino)naphthalene-2-carboxylate

C15H12NO3- — CID 7131661

IUPAC3-(cyclopropanecarbonylamino)naphthalene-2-carboxylate
SMILESO=C([O-])c1cc2ccccc2cc1NC(=O)C1CC1
InChIInChI=1S/C15H13NO3/c17-14(9-5-6-9)16-13-8-11-4-2-1-3-10(11)7-12(13)15(18)19/h1-4,7-9H,5-6H2,(H,16,17)(H,18,19)/p-1
InChIKeyYKBUHVJCWJNFNQ-UHFFFAOYSA-M
MW254.27 g/mol
LogP1.55
Rot. Bonds3

About 3-(cyclopropanecarbonylamino)naphthalene-2-carboxylate

3-(cyclopropanecarbonylamino)naphthalene-2-carboxylate (PubChem CID 7131661) has the molecular formula C15H12NO3- and a molecular weight of 254.27 g/mol. Its IUPAC name is 3-(cyclopropanecarbonylamino)naphthalene-2-carboxylate.

Molecular Properties

Compound Name3-(cyclopropanecarbonylamino)naphthalene-2-carboxylate
PubChem CID7131661
Molecular FormulaC15H12NO3-
Molecular Weight254.27 g/mol
Exact Mass254.08
IUPAC Name3-(cyclopropanecarbonylamino)naphthalene-2-carboxylate
SMILESO=C([O-])c1cc2ccccc2cc1NC(=O)C1CC1
InChIInChI=1S/C15H13NO3/c17-14(9-5-6-9)16-13-8-11-4-2-1-3-10(11)7-12(13)15(18)19/h1-4,7-9H,5-6H2,(H,16,17)(H,18,19)/p-1
InChIKeyYKBUHVJCWJNFNQ-UHFFFAOYSA-M
XLogP1.55
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.27
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclopropanecarbonylamino)-N-(2-hydroxypropyl)naphthalene-2-carboxamide
CID 110886656
3-(cyclopropanecarbonylamino)-N-(5-methyl-1,3,4-thiadiazol-2-yl)naphthalene-2-carboxamide
CID 134022231
N-[3-(3-hydroxypiperidine-1-carbonyl)naphthalen-2-yl]cyclopropanecarboxamide
CID 110880058
3-(cyclopropanecarbonylamino)-N-(pyridin-4-ylmethyl)naphthalene-2-carboxamide
CID 24595212
3-(cyclopropanecarbonylamino)-N-[2-(diethylamino)-2-oxoethyl]-N-methylnaphthalene-2-carboxamide
CID 39948097
3-(cyclopropanecarbonylamino)-N-[2-(methanesulfonamido)-2-oxoethyl]naphthalene-2-carboxamide
CID 166393096
N-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]naphthalen-2-yl]cyclopropanecarboxamide
CID 46689860
3-(cyclopropanecarbonylamino)-N-(2-methyl-2-piperidin-1-ylpropyl)naphthalene-2-carboxamide
CID 47012254
3-(cyclopropanecarbonylamino)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)naphthalene-2-carboxamide
CID 41399571
calcium naphthalene-2,3-dicarboxylate
CID 101297436
3-(cyclopropanecarbonylamino)-N-(2-methyl-1,3-benzoxazol-6-yl)naphthalene-2-carboxamide
CID 86923799
N-[3-[(6R)-2,2,6-trimethylmorpholine-4-carbonyl]naphthalen-2-yl]cyclopropanecarboxamide
CID 95159007

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropanecarbonylamino)naphthalene-2-carboxylate?
The IUPAC name of 3-(cyclopropanecarbonylamino)naphthalene-2-carboxylate (CID 7131661) is 3-(cyclopropanecarbonylamino)naphthalene-2-carboxylate.
What is the SMILES notation for 3-(cyclopropanecarbonylamino)naphthalene-2-carboxylate?
The canonical SMILES for 3-(cyclopropanecarbonylamino)naphthalene-2-carboxylate is O=C([O-])c1cc2ccccc2cc1NC(=O)C1CC1.
What is the InChIKey of 3-(cyclopropanecarbonylamino)naphthalene-2-carboxylate?
The InChIKey is YKBUHVJCWJNFNQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H13NO3/c17-14(9-5-6-9)16-13-8-11-4-2-1-3-10(11)7-12(13)15(18)19/h1-4,7-9H,5-6H2,(H,16,17)(H,18,19)/p-1.
What are the key properties of 3-(cyclopropanecarbonylamino)naphthalene-2-carboxylate?
3-(cyclopropanecarbonylamino)naphthalene-2-carboxylate has a molecular weight of 254.27 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropanecarbonylamino)naphthalene-2-carboxylate is sourced from PubChem (CID 7131661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).