3-amino-7-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol;hydrochloride

C14H20ClNO2 — CID 82020702

IUPAC3-amino-7-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol;hydrochloride
SMILESCc1ccc2c(c1)OC1(CCCC1)C(N)C2O.Cl
InChIInChI=1S/C14H19NO2.ClH/c1-9-4-5-10-11(8-9)17-14(6-2-3-7-14)13(15)12(10)16;/h4-5,8,12-13,16H,2-3,6-7,15H2,1H3;1H
InChIKeyITFMUIJXPVZFKB-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.48
Rot. Bonds

About 3-amino-7-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol;hydrochloride

3-amino-7-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol;hydrochloride (PubChem CID 82020702) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 3-amino-7-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol;hydrochloride.

Molecular Properties

Compound Name3-amino-7-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol;hydrochloride
PubChem CID82020702
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name3-amino-7-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol;hydrochloride
SMILESCc1ccc2c(c1)OC1(CCCC1)C(N)C2O.Cl
InChIInChI=1S/C14H19NO2.ClH/c1-9-4-5-10-11(8-9)17-14(6-2-3-7-14)13(15)12(10)16;/h4-5,8,12-13,16H,2-3,6-7,15H2,1H3;1H
InChIKeyITFMUIJXPVZFKB-UHFFFAOYSA-N
XLogP2.48
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-7-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol;hydrochloride?
The IUPAC name of 3-amino-7-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol;hydrochloride (CID 82020702) is 3-amino-7-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol;hydrochloride.
What is the SMILES notation for 3-amino-7-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol;hydrochloride?
The canonical SMILES for 3-amino-7-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol;hydrochloride is Cc1ccc2c(c1)OC1(CCCC1)C(N)C2O.Cl.
What is the InChIKey of 3-amino-7-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol;hydrochloride?
The InChIKey is ITFMUIJXPVZFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2.ClH/c1-9-4-5-10-11(8-9)17-14(6-2-3-7-14)13(15)12(10)16;/h4-5,8,12-13,16H,2-3,6-7,15H2,1H3;1H.
What are the key properties of 3-amino-7-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol;hydrochloride?
3-amino-7-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol;hydrochloride has a molecular weight of 269.77 g/mol, XLogP of 2.48, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-7-methylspiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ol;hydrochloride is sourced from PubChem (CID 82020702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).