N-(1-cyanopropan-2-yl)-N-methyl-3,4-dihydro-2H-chromene-4-carboxamide

C15H18N2O2 — CID 63297027

IUPACN-(1-cyanopropan-2-yl)-N-methyl-3,4-dihydro-2H-chromene-4-carboxamide
SMILESCC(CC#N)N(C)C(=O)C1CCOc2ccccc21
InChIInChI=1S/C15H18N2O2/c1-11(7-9-16)17(2)15(18)13-8-10-19-14-6-4-3-5-12(13)14/h3-6,11,13H,7-8,10H2,1-2H3
InChIKeyOSJRTUHFNWPQIF-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.31
Rot. Bonds3

About N-(1-cyanopropan-2-yl)-N-methyl-3,4-dihydro-2H-chromene-4-carboxamide

N-(1-cyanopropan-2-yl)-N-methyl-3,4-dihydro-2H-chromene-4-carboxamide (PubChem CID 63297027) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-(1-cyanopropan-2-yl)-N-methyl-3,4-dihydro-2H-chromene-4-carboxamide.

Molecular Properties

Compound NameN-(1-cyanopropan-2-yl)-N-methyl-3,4-dihydro-2H-chromene-4-carboxamide
PubChem CID63297027
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-(1-cyanopropan-2-yl)-N-methyl-3,4-dihydro-2H-chromene-4-carboxamide
SMILESCC(CC#N)N(C)C(=O)C1CCOc2ccccc21
InChIInChI=1S/C15H18N2O2/c1-11(7-9-16)17(2)15(18)13-8-10-19-14-6-4-3-5-12(13)14/h3-6,11,13H,7-8,10H2,1-2H3
InChIKeyOSJRTUHFNWPQIF-UHFFFAOYSA-N
XLogP2.31
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(1-cyanopropan-2-yl)-N-methyl-3,4-dihydro-2H-chromene-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(cyanomethyl)-N-propyl-3,4-dihydro-2H-chromene-4-carboxamide
CID 63184213
(2S)-3-[[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]-methylamino]-2-methylpropanoic acid
CID 124556443
N-(1-cyanoethyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 55248313
1-(3,4-dihydro-2H-chromen-4-yl)-2-methylpentan-1-one
CID 55227243
N-(3-amino-4-methylpentyl)-N-methyl-3,4-dihydro-2H-chromene-4-carboxamide
CID 81485803
N-(1-cyanopropan-2-yl)-N-methyl-2,3-dihydro-1H-indene-2-carboxamide
CID 106703438
2-[3,4-dihydro-2H-chromene-4-carbonyl(ethyl)amino]acetic acid
CID 63709185
N-[(2S)-2-hydroxypropyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 83030362
2-[3,4-dihydro-2H-chromene-4-carbonyl(2-methylpropyl)amino]acetic acid
CID 63708820
(3S)-N-[(2R)-1-cyanopropan-2-yl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 95359121
1-(3,4-dihydro-2H-chromen-4-yl)-3-methylhexan-1-one
CID 65409121
N-(2-cyanoethyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 63708655

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanopropan-2-yl)-N-methyl-3,4-dihydro-2H-chromene-4-carboxamide?
The IUPAC name of N-(1-cyanopropan-2-yl)-N-methyl-3,4-dihydro-2H-chromene-4-carboxamide (CID 63297027) is N-(1-cyanopropan-2-yl)-N-methyl-3,4-dihydro-2H-chromene-4-carboxamide.
What is the SMILES notation for N-(1-cyanopropan-2-yl)-N-methyl-3,4-dihydro-2H-chromene-4-carboxamide?
The canonical SMILES for N-(1-cyanopropan-2-yl)-N-methyl-3,4-dihydro-2H-chromene-4-carboxamide is CC(CC#N)N(C)C(=O)C1CCOc2ccccc21.
What is the InChIKey of N-(1-cyanopropan-2-yl)-N-methyl-3,4-dihydro-2H-chromene-4-carboxamide?
The InChIKey is OSJRTUHFNWPQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-11(7-9-16)17(2)15(18)13-8-10-19-14-6-4-3-5-12(13)14/h3-6,11,13H,7-8,10H2,1-2H3.
What are the key properties of N-(1-cyanopropan-2-yl)-N-methyl-3,4-dihydro-2H-chromene-4-carboxamide?
N-(1-cyanopropan-2-yl)-N-methyl-3,4-dihydro-2H-chromene-4-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanopropan-2-yl)-N-methyl-3,4-dihydro-2H-chromene-4-carboxamide is sourced from PubChem (CID 63297027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).