(4R)-4,6-diamino-3,4-dihydro-2H-chromene-8-carbonitrile

C10H11N3O — CID 130665310

IUPAC(4R)-4,6-diamino-3,4-dihydro-2H-chromene-8-carbonitrile
SMILESN#Cc1cc(N)cc2c1OCC[C@H]2N
InChIInChI=1S/C10H11N3O/c11-5-6-3-7(12)4-8-9(13)1-2-14-10(6)8/h3-4,9H,1-2,12-13H2/t9-/m1/s1
InChIKeyWAMBQAQPCFPOKY-SECBINFHSA-N
MW189.22 g/mol
LogP0.92
Rot. Bonds

About (4R)-4,6-diamino-3,4-dihydro-2H-chromene-8-carbonitrile

(4R)-4,6-diamino-3,4-dihydro-2H-chromene-8-carbonitrile (PubChem CID 130665310) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is (4R)-4,6-diamino-3,4-dihydro-2H-chromene-8-carbonitrile.

Molecular Properties

Compound Name(4R)-4,6-diamino-3,4-dihydro-2H-chromene-8-carbonitrile
PubChem CID130665310
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name(4R)-4,6-diamino-3,4-dihydro-2H-chromene-8-carbonitrile
SMILESN#Cc1cc(N)cc2c1OCC[C@H]2N
InChIInChI=1S/C10H11N3O/c11-5-6-3-7(12)4-8-9(13)1-2-14-10(6)8/h3-4,9H,1-2,12-13H2/t9-/m1/s1
InChIKeyWAMBQAQPCFPOKY-SECBINFHSA-N
XLogP0.92
TPSA85.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-4,6-diamino-3,4-dihydro-2H-chromene-8-carbonitrile?
The IUPAC name of (4R)-4,6-diamino-3,4-dihydro-2H-chromene-8-carbonitrile (CID 130665310) is (4R)-4,6-diamino-3,4-dihydro-2H-chromene-8-carbonitrile.
What is the SMILES notation for (4R)-4,6-diamino-3,4-dihydro-2H-chromene-8-carbonitrile?
The canonical SMILES for (4R)-4,6-diamino-3,4-dihydro-2H-chromene-8-carbonitrile is N#Cc1cc(N)cc2c1OCC[C@H]2N.
What is the InChIKey of (4R)-4,6-diamino-3,4-dihydro-2H-chromene-8-carbonitrile?
The InChIKey is WAMBQAQPCFPOKY-SECBINFHSA-N. The full InChI is InChI=1S/C10H11N3O/c11-5-6-3-7(12)4-8-9(13)1-2-14-10(6)8/h3-4,9H,1-2,12-13H2/t9-/m1/s1.
What are the key properties of (4R)-4,6-diamino-3,4-dihydro-2H-chromene-8-carbonitrile?
(4R)-4,6-diamino-3,4-dihydro-2H-chromene-8-carbonitrile has a molecular weight of 189.22 g/mol, XLogP of 0.92, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4,6-diamino-3,4-dihydro-2H-chromene-8-carbonitrile is sourced from PubChem (CID 130665310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).