N-(2-methylprop-2-enoyl)naphthalene-1-carboxamide

C15H13NO2 — CID 22320844

IUPACN-(2-methylprop-2-enoyl)naphthalene-1-carboxamide
SMILESC=C(C)C(=O)NC(=O)c1cccc2ccccc12
InChIInChI=1S/C15H13NO2/c1-10(2)14(17)16-15(18)13-9-5-7-11-6-3-4-8-12(11)13/h3-9H,1H2,2H3,(H,16,17,18)
InChIKeyZPIDGYYDWGHQIS-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.67
Rot. Bonds2

About N-(2-methylprop-2-enoyl)naphthalene-1-carboxamide

N-(2-methylprop-2-enoyl)naphthalene-1-carboxamide (PubChem CID 22320844) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is N-(2-methylprop-2-enoyl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(2-methylprop-2-enoyl)naphthalene-1-carboxamide
PubChem CID22320844
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC NameN-(2-methylprop-2-enoyl)naphthalene-1-carboxamide
SMILESC=C(C)C(=O)NC(=O)c1cccc2ccccc12
InChIInChI=1S/C15H13NO2/c1-10(2)14(17)16-15(18)13-9-5-7-11-6-3-4-8-12(11)13/h3-9H,1H2,2H3,(H,16,17,18)
InChIKeyZPIDGYYDWGHQIS-UHFFFAOYSA-N
XLogP2.67
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

magnesium;2-methylprop-2-enoate;naphthalene-1-carboxylate
CID 22987477
N-(butan-2-ylideneamino)naphthalene-1-carboxamide
CID 4560020
azane;1-prop-1-en-2-ylnaphthalene
CID 122612227
ethane;N-ethylnaphthalene-1-carboxamide;propane
CID 144944456
4-methyl-1-naphthalen-1-ylpent-4-en-1-one
CID 114473529
N-(4-bromobutanoyl)naphthalene-1-carboxamide
CID 174780891
N-(2,4-dimethylpentan-3-ylideneamino)naphthalene-1-carboxamide
CID 4079400
N-[11-(naphthalene-1-carbonylamino)undecyl]naphthalene-1-carboxamide
CID 137492009
N-(1-methylpyrrol-2-yl)naphthalene-1-carboxamide
CID 132933719
methyl 2-(naphthalene-1-carbonylamino)acetate
CID 19789843
2-methylprop-2-enyl naphthalene-1-carboxylate
CID 22594823
(2S)-2-(naphthalene-1-carbonylamino)propanoic acid
CID 11637328

Frequently Asked Questions

What is the IUPAC name of N-(2-methylprop-2-enoyl)naphthalene-1-carboxamide?
The IUPAC name of N-(2-methylprop-2-enoyl)naphthalene-1-carboxamide (CID 22320844) is N-(2-methylprop-2-enoyl)naphthalene-1-carboxamide.
What is the SMILES notation for N-(2-methylprop-2-enoyl)naphthalene-1-carboxamide?
The canonical SMILES for N-(2-methylprop-2-enoyl)naphthalene-1-carboxamide is C=C(C)C(=O)NC(=O)c1cccc2ccccc12.
What is the InChIKey of N-(2-methylprop-2-enoyl)naphthalene-1-carboxamide?
The InChIKey is ZPIDGYYDWGHQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c1-10(2)14(17)16-15(18)13-9-5-7-11-6-3-4-8-12(11)13/h3-9H,1H2,2H3,(H,16,17,18).
What are the key properties of N-(2-methylprop-2-enoyl)naphthalene-1-carboxamide?
N-(2-methylprop-2-enoyl)naphthalene-1-carboxamide has a molecular weight of 239.27 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylprop-2-enoyl)naphthalene-1-carboxamide is sourced from PubChem (CID 22320844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).