1-cyano-N-[2-(6-methylnaphthalen-2-yl)ethyl]formamide

C15H14N2O — CID 115172582

IUPAC1-cyano-N-[2-(6-methylnaphthalen-2-yl)ethyl]formamide
SMILESCc1ccc2cc(CCNC(=O)C#N)ccc2c1
InChIInChI=1S/C15H14N2O/c1-11-2-4-14-9-12(3-5-13(14)8-11)6-7-17-15(18)10-16/h2-5,8-9H,6-7H2,1H3,(H,17,18)
InChIKeyYUHCKVROSNCKOP-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.33
Rot. Bonds3

About 1-cyano-N-[2-(6-methylnaphthalen-2-yl)ethyl]formamide

1-cyano-N-[2-(6-methylnaphthalen-2-yl)ethyl]formamide (PubChem CID 115172582) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-cyano-N-[2-(6-methylnaphthalen-2-yl)ethyl]formamide.

Molecular Properties

Compound Name1-cyano-N-[2-(6-methylnaphthalen-2-yl)ethyl]formamide
PubChem CID115172582
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name1-cyano-N-[2-(6-methylnaphthalen-2-yl)ethyl]formamide
SMILESCc1ccc2cc(CCNC(=O)C#N)ccc2c1
InChIInChI=1S/C15H14N2O/c1-11-2-4-14-9-12(3-5-13(14)8-11)6-7-17-15(18)10-16/h2-5,8-9H,6-7H2,1H3,(H,17,18)
InChIKeyYUHCKVROSNCKOP-UHFFFAOYSA-N
XLogP2.33
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyano-N-[2-(3-methylphenyl)ethyl]formamide
CID 115172562
2-[2-(6-methylnaphthalen-2-yl)ethylamino]acetamide
CID 115260174
N-[2-(4-bromophenyl)ethyl]-1-cyanoformamide
CID 115172450
1-cyano-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]formamide
CID 115172455
1-cyano-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]formamide
CID 115172542
N'-[2-(6-methylnaphthalen-2-yl)ethyl]ethane-1,2-diamine
CID 115195493
N'-methyl-3-(6-methylnaphthalen-2-yl)propanehydrazide
CID 116846437
4-[2-(6-methylnaphthalen-2-yl)ethylamino]butan-1-ol
CID 115217835
1-cyano-N-[2-(3-methylphenyl)ethyl]cyclobutane-1-carboxamide
CID 78994342
1-cyano-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]formamide
CID 115172488
methyl-[2-(6-methylnaphthalen-2-yl)ethyl]cyanamide
CID 117043584
4-(6-methylnaphthalen-2-yl)butanehydrazide
CID 116843668

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[2-(6-methylnaphthalen-2-yl)ethyl]formamide?
The IUPAC name of 1-cyano-N-[2-(6-methylnaphthalen-2-yl)ethyl]formamide (CID 115172582) is 1-cyano-N-[2-(6-methylnaphthalen-2-yl)ethyl]formamide.
What is the SMILES notation for 1-cyano-N-[2-(6-methylnaphthalen-2-yl)ethyl]formamide?
The canonical SMILES for 1-cyano-N-[2-(6-methylnaphthalen-2-yl)ethyl]formamide is Cc1ccc2cc(CCNC(=O)C#N)ccc2c1.
What is the InChIKey of 1-cyano-N-[2-(6-methylnaphthalen-2-yl)ethyl]formamide?
The InChIKey is YUHCKVROSNCKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-11-2-4-14-9-12(3-5-13(14)8-11)6-7-17-15(18)10-16/h2-5,8-9H,6-7H2,1H3,(H,17,18).
What are the key properties of 1-cyano-N-[2-(6-methylnaphthalen-2-yl)ethyl]formamide?
1-cyano-N-[2-(6-methylnaphthalen-2-yl)ethyl]formamide has a molecular weight of 238.29 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[2-(6-methylnaphthalen-2-yl)ethyl]formamide is sourced from PubChem (CID 115172582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).