(4R)-6-chloro-3,4-dihydro-2H-chromene-4,7-diamine

C9H11ClN2O — CID 130673761

IUPAC(4R)-6-chloro-3,4-dihydro-2H-chromene-4,7-diamine
SMILESNc1cc2c(cc1Cl)[C@H](N)CCO2
InChIInChI=1S/C9H11ClN2O/c10-6-3-5-7(11)1-2-13-9(5)4-8(6)12/h3-4,7H,1-2,11-12H2/t7-/m1/s1
InChIKeyLSQOVZCUYCKLDQ-SSDOTTSWSA-N
MW198.65 g/mol
LogP1.70
Rot. Bonds

About (4R)-6-chloro-3,4-dihydro-2H-chromene-4,7-diamine

(4R)-6-chloro-3,4-dihydro-2H-chromene-4,7-diamine (PubChem CID 130673761) has the molecular formula C9H11ClN2O and a molecular weight of 198.65 g/mol. Its IUPAC name is (4R)-6-chloro-3,4-dihydro-2H-chromene-4,7-diamine.

Molecular Properties

Compound Name(4R)-6-chloro-3,4-dihydro-2H-chromene-4,7-diamine
PubChem CID130673761
Molecular FormulaC9H11ClN2O
Molecular Weight198.65 g/mol
Exact Mass198.06
IUPAC Name(4R)-6-chloro-3,4-dihydro-2H-chromene-4,7-diamine
SMILESNc1cc2c(cc1Cl)[C@H](N)CCO2
InChIInChI=1S/C9H11ClN2O/c10-6-3-5-7(11)1-2-13-9(5)4-8(6)12/h3-4,7H,1-2,11-12H2/t7-/m1/s1
InChIKeyLSQOVZCUYCKLDQ-SSDOTTSWSA-N
XLogP1.70
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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)-6-chloro-3,4-dihydro-2H-chromene-4,7-diamine?
The IUPAC name of (4R)-6-chloro-3,4-dihydro-2H-chromene-4,7-diamine (CID 130673761) is (4R)-6-chloro-3,4-dihydro-2H-chromene-4,7-diamine.
What is the SMILES notation for (4R)-6-chloro-3,4-dihydro-2H-chromene-4,7-diamine?
The canonical SMILES for (4R)-6-chloro-3,4-dihydro-2H-chromene-4,7-diamine is Nc1cc2c(cc1Cl)[C@H](N)CCO2.
What is the InChIKey of (4R)-6-chloro-3,4-dihydro-2H-chromene-4,7-diamine?
The InChIKey is LSQOVZCUYCKLDQ-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H11ClN2O/c10-6-3-5-7(11)1-2-13-9(5)4-8(6)12/h3-4,7H,1-2,11-12H2/t7-/m1/s1.
What are the key properties of (4R)-6-chloro-3,4-dihydro-2H-chromene-4,7-diamine?
(4R)-6-chloro-3,4-dihydro-2H-chromene-4,7-diamine has a molecular weight of 198.65 g/mol, XLogP of 1.70, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-chloro-3,4-dihydro-2H-chromene-4,7-diamine is sourced from PubChem (CID 130673761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).