(3S)-3,5,6,7-tetrahydro-2H-furo[3,2-g]chromen-3-amine

C11H13NO2 — CID 130609104

IUPAC(3S)-3,5,6,7-tetrahydro-2H-furo[3,2-g]chromen-3-amine
SMILESN[C@@H]1COc2cc3c(cc21)CCCO3
InChIInChI=1S/C11H13NO2/c12-9-6-14-11-5-10-7(4-8(9)11)2-1-3-13-10/h4-5,9H,1-3,6,12H2/t9-/m1/s1
InChIKeyZPZDQUTZNHZEJL-SECBINFHSA-N
MW191.23 g/mol
LogP1.40
Rot. Bonds

About (3S)-3,5,6,7-tetrahydro-2H-furo[3,2-g]chromen-3-amine

(3S)-3,5,6,7-tetrahydro-2H-furo[3,2-g]chromen-3-amine (PubChem CID 130609104) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is (3S)-3,5,6,7-tetrahydro-2H-furo[3,2-g]chromen-3-amine.

Molecular Properties

Compound Name(3S)-3,5,6,7-tetrahydro-2H-furo[3,2-g]chromen-3-amine
PubChem CID130609104
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name(3S)-3,5,6,7-tetrahydro-2H-furo[3,2-g]chromen-3-amine
SMILESN[C@@H]1COc2cc3c(cc21)CCCO3
InChIInChI=1S/C11H13NO2/c12-9-6-14-11-5-10-7(4-8(9)11)2-1-3-13-10/h4-5,9H,1-3,6,12H2/t9-/m1/s1
InChIKeyZPZDQUTZNHZEJL-SECBINFHSA-N
XLogP1.40
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3,5,6,7-tetrahydro-2H-furo[3,2-g]chromen-3-amine?
The IUPAC name of (3S)-3,5,6,7-tetrahydro-2H-furo[3,2-g]chromen-3-amine (CID 130609104) is (3S)-3,5,6,7-tetrahydro-2H-furo[3,2-g]chromen-3-amine.
What is the SMILES notation for (3S)-3,5,6,7-tetrahydro-2H-furo[3,2-g]chromen-3-amine?
The canonical SMILES for (3S)-3,5,6,7-tetrahydro-2H-furo[3,2-g]chromen-3-amine is N[C@@H]1COc2cc3c(cc21)CCCO3.
What is the InChIKey of (3S)-3,5,6,7-tetrahydro-2H-furo[3,2-g]chromen-3-amine?
The InChIKey is ZPZDQUTZNHZEJL-SECBINFHSA-N. The full InChI is InChI=1S/C11H13NO2/c12-9-6-14-11-5-10-7(4-8(9)11)2-1-3-13-10/h4-5,9H,1-3,6,12H2/t9-/m1/s1.
What are the key properties of (3S)-3,5,6,7-tetrahydro-2H-furo[3,2-g]chromen-3-amine?
(3S)-3,5,6,7-tetrahydro-2H-furo[3,2-g]chromen-3-amine has a molecular weight of 191.23 g/mol, XLogP of 1.40, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3,5,6,7-tetrahydro-2H-furo[3,2-g]chromen-3-amine is sourced from PubChem (CID 130609104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).