(4R)-4,6-diamino-3,4-dihydro-2H-chromen-7-ol

C9H12N2O2 — CID 131107943

IUPAC(4R)-4,6-diamino-3,4-dihydro-2H-chromen-7-ol
SMILESNc1cc2c(cc1O)OCC[C@H]2N
InChIInChI=1S/C9H12N2O2/c10-6-1-2-13-9-4-8(12)7(11)3-5(6)9/h3-4,6,12H,1-2,10-11H2/t6-/m1/s1
InChIKeyZCIBUNGBADGYAM-ZCFIWIBFSA-N
MW180.21 g/mol
LogP0.76
Rot. Bonds

About (4R)-4,6-diamino-3,4-dihydro-2H-chromen-7-ol

(4R)-4,6-diamino-3,4-dihydro-2H-chromen-7-ol (PubChem CID 131107943) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is (4R)-4,6-diamino-3,4-dihydro-2H-chromen-7-ol.

Molecular Properties

Compound Name(4R)-4,6-diamino-3,4-dihydro-2H-chromen-7-ol
PubChem CID131107943
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name(4R)-4,6-diamino-3,4-dihydro-2H-chromen-7-ol
SMILESNc1cc2c(cc1O)OCC[C@H]2N
InChIInChI=1S/C9H12N2O2/c10-6-1-2-13-9-4-8(12)7(11)3-5(6)9/h3-4,6,12H,1-2,10-11H2/t6-/m1/s1
InChIKeyZCIBUNGBADGYAM-ZCFIWIBFSA-N
XLogP0.76
TPSA81.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4R)-6-chloro-3,4-dihydro-2H-chromene-4,7-diamine
CID 130673761
7-amino-2,3-dihydro-1,4-benzodioxin-6-ol
CID 43164957
7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-amine
CID 43155060
(4S)-4-amino-3,4-dihydro-2H-chromen-7-ol;hydrochloride
CID 171252096
7-chloro-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 55273084
(4S)-7-methoxy-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 130658442
4-amino-3,4-dihydro-2H-chromene-6-sulfonamide
CID 43186511
3,6-diamino-2,3-dihydro-1H-inden-5-ol
CID 55294365
(4R)-7-bromo-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 91844840
2-[(4R)-4-amino-3,4-dihydro-2H-chromen-6-yl]acetonitrile
CID 130700557
7-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 55294378
(4S)-6-ethyl-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 75412144

Frequently Asked Questions

What is the IUPAC name of (4R)-4,6-diamino-3,4-dihydro-2H-chromen-7-ol?
The IUPAC name of (4R)-4,6-diamino-3,4-dihydro-2H-chromen-7-ol (CID 131107943) is (4R)-4,6-diamino-3,4-dihydro-2H-chromen-7-ol.
What is the SMILES notation for (4R)-4,6-diamino-3,4-dihydro-2H-chromen-7-ol?
The canonical SMILES for (4R)-4,6-diamino-3,4-dihydro-2H-chromen-7-ol is Nc1cc2c(cc1O)OCC[C@H]2N.
What is the InChIKey of (4R)-4,6-diamino-3,4-dihydro-2H-chromen-7-ol?
The InChIKey is ZCIBUNGBADGYAM-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H12N2O2/c10-6-1-2-13-9-4-8(12)7(11)3-5(6)9/h3-4,6,12H,1-2,10-11H2/t6-/m1/s1.
What are the key properties of (4R)-4,6-diamino-3,4-dihydro-2H-chromen-7-ol?
(4R)-4,6-diamino-3,4-dihydro-2H-chromen-7-ol has a molecular weight of 180.21 g/mol, XLogP of 0.76, 0 rotatable bonds, 3 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-chromen-7-ol is sourced from PubChem (CID 131107943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).