2-cyano-N-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]-N-methylacetamide

C15H18N2O2 — CID 115173364

IUPAC2-cyano-N-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]-N-methylacetamide
SMILESCN(CCc1ccc2c(c1)CCCO2)C(=O)CC#N
InChIInChI=1S/C15H18N2O2/c1-17(15(18)6-8-16)9-7-12-4-5-14-13(11-12)3-2-10-19-14/h4-5,11H,2-3,6-7,9-10H2,1H3
InChIKeyGJHSRTOYWJCJRR-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.93
Rot. Bonds4

About 2-cyano-N-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]-N-methylacetamide

2-cyano-N-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]-N-methylacetamide (PubChem CID 115173364) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-cyano-N-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-cyano-N-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]-N-methylacetamide
PubChem CID115173364
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-cyano-N-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]-N-methylacetamide
SMILESCN(CCc1ccc2c(c1)CCCO2)C(=O)CC#N
InChIInChI=1S/C15H18N2O2/c1-17(15(18)6-8-16)9-7-12-4-5-14-13(11-12)3-2-10-19-14/h4-5,11H,2-3,6-7,9-10H2,1H3
InChIKeyGJHSRTOYWJCJRR-UHFFFAOYSA-N
XLogP1.93
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyano-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N-methylformamide
CID 115172701
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N-methylcarbamoyl bromide
CID 115194145
3-(3,4-dihydro-2H-chromen-6-yl)-N-methylpropanehydrazide
CID 116844990
3-amino-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methylurea
CID 115193085
2-(2,3-dihydro-1-benzofuran-5-yl)ethyl-methylcyanamide
CID 117043556
2-(3,4-dihydro-2H-chromen-6-yl)-N-(methoxymethyl)-N-methylethanamine
CID 115259053
5-(3,4-dihydro-2H-chromen-6-yl)pentanenitrile
CID 82471341
5-(3,4-dihydro-2H-chromen-6-yl)-N-methylpentanehydrazide
CID 116845249
N-[2-(3-bromophenyl)ethyl]-2-cyano-N-methylacetamide
CID 82134700
N'-(3,4-dihydro-2H-chromen-6-ylmethyl)-N'-methyloxamide
CID 115191993
2-chloro-N-(3,4-dihydro-2H-chromen-6-ylmethyl)-N-methylethanamine
CID 115214963
2-(3,4-dihydro-2H-chromen-6-yl)ethylurea
CID 115168538

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]-N-methylacetamide?
The IUPAC name of 2-cyano-N-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]-N-methylacetamide (CID 115173364) is 2-cyano-N-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]-N-methylacetamide.
What is the SMILES notation for 2-cyano-N-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]-N-methylacetamide?
The canonical SMILES for 2-cyano-N-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]-N-methylacetamide is CN(CCc1ccc2c(c1)CCCO2)C(=O)CC#N.
What is the InChIKey of 2-cyano-N-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]-N-methylacetamide?
The InChIKey is GJHSRTOYWJCJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-17(15(18)6-8-16)9-7-12-4-5-14-13(11-12)3-2-10-19-14/h4-5,11H,2-3,6-7,9-10H2,1H3.
What are the key properties of 2-cyano-N-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]-N-methylacetamide?
2-cyano-N-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]-N-methylacetamide has a molecular weight of 258.32 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]-N-methylacetamide is sourced from PubChem (CID 115173364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).