N-[(E)-pent-3-enyl]naphthalene-1-carboxamide

C16H17NO — CID 113236419

IUPACN-[(E)-pent-3-enyl]naphthalene-1-carboxamide
SMILESC/C=C/CCNC(=O)c1cccc2ccccc12
InChIInChI=1S/C16H17NO/c1-2-3-6-12-17-16(18)15-11-7-9-13-8-4-5-10-14(13)15/h2-5,7-11H,6,12H2,1H3,(H,17,18)/b3-2+
InChIKeySMVNFZVSDRRJNQ-NSCUHMNNSA-N
MW239.32 g/mol
LogP3.54
Rot. Bonds4

About N-[(E)-pent-3-enyl]naphthalene-1-carboxamide

N-[(E)-pent-3-enyl]naphthalene-1-carboxamide (PubChem CID 113236419) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is N-[(E)-pent-3-enyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[(E)-pent-3-enyl]naphthalene-1-carboxamide
PubChem CID113236419
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC NameN-[(E)-pent-3-enyl]naphthalene-1-carboxamide
SMILESC/C=C/CCNC(=O)c1cccc2ccccc12
InChIInChI=1S/C16H17NO/c1-2-3-6-12-17-16(18)15-11-7-9-13-8-4-5-10-14(13)15/h2-5,7-11H,6,12H2,1H3,(H,17,18)/b3-2+
InChIKeySMVNFZVSDRRJNQ-NSCUHMNNSA-N
XLogP3.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[(E)-pent-3-enyl]benzamide
CID 115976398
3-hydroxy-N-[(E)-pent-3-enyl]naphthalene-2-carboxamide
CID 115628024
N-[11-(naphthalene-1-carbonylamino)undecyl]naphthalene-1-carboxamide
CID 137492009
N-dodecylnaphthalene-1-carboxamide
CID 4278758
N-(3-chloropropyl)naphthalene-1-carboxamide
CID 17164120
6-(naphthalene-1-carbonylamino)hexanoic acid
CID 14196780
ethane;N-ethylnaphthalene-1-carboxamide;propane
CID 144944456
2-methyl-3-nitro-N-[(E)-pent-3-enyl]benzamide
CID 115628231
methyl (E)-7-(naphthalene-1-carbonylamino)-6-oxohept-2-enoate
CID 158483247
N-(2-sulfamoylethyl)naphthalene-1-carboxamide
CID 61067529
N-(6-iodohexyl)naphthalene-1-carboxamide
CID 107848597
2-fluoro-6-iodo-N-pent-3-enylbenzamide
CID 71918677

Frequently Asked Questions

What is the IUPAC name of N-[(E)-pent-3-enyl]naphthalene-1-carboxamide?
The IUPAC name of N-[(E)-pent-3-enyl]naphthalene-1-carboxamide (CID 113236419) is N-[(E)-pent-3-enyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[(E)-pent-3-enyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[(E)-pent-3-enyl]naphthalene-1-carboxamide is C/C=C/CCNC(=O)c1cccc2ccccc12.
What is the InChIKey of N-[(E)-pent-3-enyl]naphthalene-1-carboxamide?
The InChIKey is SMVNFZVSDRRJNQ-NSCUHMNNSA-N. The full InChI is InChI=1S/C16H17NO/c1-2-3-6-12-17-16(18)15-11-7-9-13-8-4-5-10-14(13)15/h2-5,7-11H,6,12H2,1H3,(H,17,18)/b3-2+.
What are the key properties of N-[(E)-pent-3-enyl]naphthalene-1-carboxamide?
N-[(E)-pent-3-enyl]naphthalene-1-carboxamide has a molecular weight of 239.32 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-pent-3-enyl]naphthalene-1-carboxamide is sourced from PubChem (CID 113236419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).