3-(ethylaminomethyl)-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)chromene-6-carbonitrile

C19H23N3O2 — CID 19386906

IUPAC3-(ethylaminomethyl)-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)chromene-6-carbonitrile
SMILESCCNCC1=C(N2CCCC2=O)c2cc(C#N)ccc2OC1(C)C
InChIInChI=1S/C19H23N3O2/c1-4-21-12-15-18(22-9-5-6-17(22)23)14-10-13(11-20)7-8-16(14)24-19(15,2)3/h7-8,10,21H,4-6,9,12H2,1-3H3
InChIKeyCLQFUILYJTXPMI-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.67
Rot. Bonds4

About 3-(ethylaminomethyl)-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)chromene-6-carbonitrile

3-(ethylaminomethyl)-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)chromene-6-carbonitrile (PubChem CID 19386906) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-(ethylaminomethyl)-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)chromene-6-carbonitrile.

Molecular Properties

Compound Name3-(ethylaminomethyl)-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)chromene-6-carbonitrile
PubChem CID19386906
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name3-(ethylaminomethyl)-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)chromene-6-carbonitrile
SMILESCCNCC1=C(N2CCCC2=O)c2cc(C#N)ccc2OC1(C)C
InChIInChI=1S/C19H23N3O2/c1-4-21-12-15-18(22-9-5-6-17(22)23)14-10-13(11-20)7-8-16(14)24-19(15,2)3/h7-8,10,21H,4-6,9,12H2,1-3H3
InChIKeyCLQFUILYJTXPMI-UHFFFAOYSA-N
XLogP2.67
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylaminomethyl)-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)chromene-6-carbonitrile?
The IUPAC name of 3-(ethylaminomethyl)-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)chromene-6-carbonitrile (CID 19386906) is 3-(ethylaminomethyl)-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)chromene-6-carbonitrile.
What is the SMILES notation for 3-(ethylaminomethyl)-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)chromene-6-carbonitrile?
The canonical SMILES for 3-(ethylaminomethyl)-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)chromene-6-carbonitrile is CCNCC1=C(N2CCCC2=O)c2cc(C#N)ccc2OC1(C)C.
What is the InChIKey of 3-(ethylaminomethyl)-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)chromene-6-carbonitrile?
The InChIKey is CLQFUILYJTXPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-4-21-12-15-18(22-9-5-6-17(22)23)14-10-13(11-20)7-8-16(14)24-19(15,2)3/h7-8,10,21H,4-6,9,12H2,1-3H3.
What are the key properties of 3-(ethylaminomethyl)-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)chromene-6-carbonitrile?
3-(ethylaminomethyl)-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)chromene-6-carbonitrile has a molecular weight of 325.41 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylaminomethyl)-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)chromene-6-carbonitrile is sourced from PubChem (CID 19386906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).