2-amino-5-oxospiro[7,8-dihydro-6H-chromene-4,1'-cyclopentane]-3-carbonitrile

C14H16N2O2 — CID 723548

IUPAC2-amino-5-oxospiro[7,8-dihydro-6H-chromene-4,1'-cyclopentane]-3-carbonitrile
SMILESN#CC1=C(N)OC2=C(C(=O)CCC2)C12CCCC2
InChIInChI=1S/C14H16N2O2/c15-8-9-13(16)18-11-5-3-4-10(17)12(11)14(9)6-1-2-7-14/h1-7,16H2
InChIKeyDEFAKIWOJUKDFS-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.28
Rot. Bonds

About 2-amino-5-oxospiro[7,8-dihydro-6H-chromene-4,1'-cyclopentane]-3-carbonitrile

2-amino-5-oxospiro[7,8-dihydro-6H-chromene-4,1'-cyclopentane]-3-carbonitrile (PubChem CID 723548) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-amino-5-oxospiro[7,8-dihydro-6H-chromene-4,1'-cyclopentane]-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5-oxospiro[7,8-dihydro-6H-chromene-4,1'-cyclopentane]-3-carbonitrile
PubChem CID723548
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2-amino-5-oxospiro[7,8-dihydro-6H-chromene-4,1'-cyclopentane]-3-carbonitrile
SMILESN#CC1=C(N)OC2=C(C(=O)CCC2)C12CCCC2
InChIInChI=1S/C14H16N2O2/c15-8-9-13(16)18-11-5-3-4-10(17)12(11)14(9)6-1-2-7-14/h1-7,16H2
InChIKeyDEFAKIWOJUKDFS-UHFFFAOYSA-N
XLogP2.28
TPSA76.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-oxospiro[7,8-dihydro-6H-chromene-4,1'-cyclopentane]-3-carbonitrile?
The IUPAC name of 2-amino-5-oxospiro[7,8-dihydro-6H-chromene-4,1'-cyclopentane]-3-carbonitrile (CID 723548) is 2-amino-5-oxospiro[7,8-dihydro-6H-chromene-4,1'-cyclopentane]-3-carbonitrile.
What is the SMILES notation for 2-amino-5-oxospiro[7,8-dihydro-6H-chromene-4,1'-cyclopentane]-3-carbonitrile?
The canonical SMILES for 2-amino-5-oxospiro[7,8-dihydro-6H-chromene-4,1'-cyclopentane]-3-carbonitrile is N#CC1=C(N)OC2=C(C(=O)CCC2)C12CCCC2.
What is the InChIKey of 2-amino-5-oxospiro[7,8-dihydro-6H-chromene-4,1'-cyclopentane]-3-carbonitrile?
The InChIKey is DEFAKIWOJUKDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c15-8-9-13(16)18-11-5-3-4-10(17)12(11)14(9)6-1-2-7-14/h1-7,16H2.
What are the key properties of 2-amino-5-oxospiro[7,8-dihydro-6H-chromene-4,1'-cyclopentane]-3-carbonitrile?
2-amino-5-oxospiro[7,8-dihydro-6H-chromene-4,1'-cyclopentane]-3-carbonitrile has a molecular weight of 244.29 g/mol, XLogP of 2.28, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-oxospiro[7,8-dihydro-6H-chromene-4,1'-cyclopentane]-3-carbonitrile is sourced from PubChem (CID 723548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).