2-amino-4-(1-methylpyrrol-2-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile

C15H15N3O2 — CID 3757409

IUPAC2-amino-4-(1-methylpyrrol-2-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
SMILESCn1cccc1C1C(C#N)=C(N)OC2=C1C(=O)CCC2
InChIInChI=1S/C15H15N3O2/c1-18-7-3-4-10(18)13-9(8-16)15(17)20-12-6-2-5-11(19)14(12)13/h3-4,7,13H,2,5-6,17H2,1H3
InChIKeyKYMHREUGJANVIW-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.84
Rot. Bonds1

About 2-amino-4-(1-methylpyrrol-2-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile

2-amino-4-(1-methylpyrrol-2-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile (PubChem CID 3757409) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-amino-4-(1-methylpyrrol-2-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(1-methylpyrrol-2-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
PubChem CID3757409
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name2-amino-4-(1-methylpyrrol-2-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
SMILESCn1cccc1C1C(C#N)=C(N)OC2=C1C(=O)CCC2
InChIInChI=1S/C15H15N3O2/c1-18-7-3-4-10(18)13-9(8-16)15(17)20-12-6-2-5-11(19)14(12)13/h3-4,7,13H,2,5-6,17H2,1H3
InChIKeyKYMHREUGJANVIW-UHFFFAOYSA-N
XLogP1.84
TPSA81.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Amino-7,7-dimethyl-5-oxo-4-(3-pyridinyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CID 612574
5-Acetyl-2-amino-6-methyl-4-(3-pyridinyl)-4H-pyran-3-carbonitrile
CID 2831029
2-amino-5-oxo-4-(pyridin-3-yl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CID 604910
2-Amino-5-oxo-7-phenyl-4-pyridin-3-yl-4,6,7,8-tetrahydrochromene-3-carbonitrile
CID 2839577
2-amino-7,7-dimethyl-5-oxo-4-(1H-pyrrol-2-yl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CID 2890418
2-amino-7,7-dimethyl-4-(1-methylpyrrol-2-yl)-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile
CID 3156327
2-amino-5-oxo-4-(pyridin-4-yl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CID 604935
2-amino-7,7-dimethyl-5-oxo-4-(pyridin-4-yl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CID 3558397
2-amino-7-methyl-5-oxo-4-(3-pyridinyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CID 2838753
4-(4-fluorophenyl)-5-oxo-2-(1H-pyrrol-1-yl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CID 5301355
4-(3-fluorophenyl)-5-oxo-2-(1H-pyrrol-1-yl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CID 5301821
5-Acetyl-2-amino-6-methyl-4-(pyridin-2-yl)-4h-pyran-3-carbonitrile
CID 14900424

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(1-methylpyrrol-2-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile?
The IUPAC name of 2-amino-4-(1-methylpyrrol-2-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile (CID 3757409) is 2-amino-4-(1-methylpyrrol-2-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(1-methylpyrrol-2-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile?
The canonical SMILES for 2-amino-4-(1-methylpyrrol-2-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile is Cn1cccc1C1C(C#N)=C(N)OC2=C1C(=O)CCC2.
What is the InChIKey of 2-amino-4-(1-methylpyrrol-2-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile?
The InChIKey is KYMHREUGJANVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-18-7-3-4-10(18)13-9(8-16)15(17)20-12-6-2-5-11(19)14(12)13/h3-4,7,13H,2,5-6,17H2,1H3.
What are the key properties of 2-amino-4-(1-methylpyrrol-2-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile?
2-amino-4-(1-methylpyrrol-2-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile has a molecular weight of 269.30 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(1-methylpyrrol-2-yl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile is sourced from PubChem (CID 3757409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).