7-amino-2-imino-3,4-dihydrochromene-3-carbonitrile

C10H9N3O — CID 123196516

IUPAC7-amino-2-imino-3,4-dihydrochromene-3-carbonitrile
SMILES[H]/N=C1\Oc2cc(N)ccc2CC1C#N
InChIInChI=1S/C10H9N3O/c11-5-7-3-6-1-2-8(12)4-9(6)14-10(7)13/h1-2,4,7,13H,3,12H2/b13-10-
InChIKeyRYEHUHATPXTHJU-RAXLEYEMSA-N
MW187.20 g/mol
LogP1.32
Rot. Bonds

About 7-amino-2-imino-3,4-dihydrochromene-3-carbonitrile

7-amino-2-imino-3,4-dihydrochromene-3-carbonitrile (PubChem CID 123196516) has the molecular formula C10H9N3O and a molecular weight of 187.20 g/mol. Its IUPAC name is 7-amino-2-imino-3,4-dihydrochromene-3-carbonitrile.

Molecular Properties

Compound Name7-amino-2-imino-3,4-dihydrochromene-3-carbonitrile
PubChem CID123196516
Molecular FormulaC10H9N3O
Molecular Weight187.20 g/mol
Exact Mass187.07
IUPAC Name7-amino-2-imino-3,4-dihydrochromene-3-carbonitrile
SMILES[H]/N=C1\Oc2cc(N)ccc2CC1C#N
InChIInChI=1S/C10H9N3O/c11-5-7-3-6-1-2-8(12)4-9(6)14-10(7)13/h1-2,4,7,13H,3,12H2/b13-10-
InChIKeyRYEHUHATPXTHJU-RAXLEYEMSA-N
XLogP1.32
TPSA82.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-amino-2-imino-3,4-dihydrochromene-3-carbonitrile?
The IUPAC name of 7-amino-2-imino-3,4-dihydrochromene-3-carbonitrile (CID 123196516) is 7-amino-2-imino-3,4-dihydrochromene-3-carbonitrile.
What is the SMILES notation for 7-amino-2-imino-3,4-dihydrochromene-3-carbonitrile?
The canonical SMILES for 7-amino-2-imino-3,4-dihydrochromene-3-carbonitrile is [H]/N=C1\Oc2cc(N)ccc2CC1C#N.
What is the InChIKey of 7-amino-2-imino-3,4-dihydrochromene-3-carbonitrile?
The InChIKey is RYEHUHATPXTHJU-RAXLEYEMSA-N. The full InChI is InChI=1S/C10H9N3O/c11-5-7-3-6-1-2-8(12)4-9(6)14-10(7)13/h1-2,4,7,13H,3,12H2/b13-10-.
What are the key properties of 7-amino-2-imino-3,4-dihydrochromene-3-carbonitrile?
7-amino-2-imino-3,4-dihydrochromene-3-carbonitrile has a molecular weight of 187.20 g/mol, XLogP of 1.32, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2-imino-3,4-dihydrochromene-3-carbonitrile is sourced from PubChem (CID 123196516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).