5-(2,3-dihydro-1-benzofuran-5-yl)pyrazolidin-3-amine

C11H15N3O — CID 76936947

IUPAC5-(2,3-dihydro-1-benzofuran-5-yl)pyrazolidin-3-amine
SMILESNC1CC(c2ccc3c(c2)CCO3)NN1
InChIInChI=1S/C11H15N3O/c12-11-6-9(13-14-11)7-1-2-10-8(5-7)3-4-15-10/h1-2,5,9,11,13-14H,3-4,6,12H2
InChIKeyDLDDTUOHHBDQEI-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.45
Rot. Bonds1

About 5-(2,3-dihydro-1-benzofuran-5-yl)pyrazolidin-3-amine

5-(2,3-dihydro-1-benzofuran-5-yl)pyrazolidin-3-amine (PubChem CID 76936947) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 5-(2,3-dihydro-1-benzofuran-5-yl)pyrazolidin-3-amine.

Molecular Properties

Compound Name5-(2,3-dihydro-1-benzofuran-5-yl)pyrazolidin-3-amine
PubChem CID76936947
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name5-(2,3-dihydro-1-benzofuran-5-yl)pyrazolidin-3-amine
SMILESNC1CC(c2ccc3c(c2)CCO3)NN1
InChIInChI=1S/C11H15N3O/c12-11-6-9(13-14-11)7-1-2-10-8(5-7)3-4-15-10/h1-2,5,9,11,13-14H,3-4,6,12H2
InChIKeyDLDDTUOHHBDQEI-UHFFFAOYSA-N
XLogP0.45
TPSA59.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydro-1-benzofuran-5-yl)cyclopropan-1-amine
CID 43810363
(2S)-2-(2,3-dihydro-1-benzofuran-5-yl)azetidine;hydrochloride
CID 171196730
(3S)-3-(2,3-dihydro-1-benzofuran-5-yl)morpholine
CID 96765724
(2S)-2-(2,3-dihydro-1-benzofuran-5-yl)piperidine
CID 96763073
(3R,4R)-4-(2,3-dihydro-1-benzofuran-5-yl)pyrrolidin-3-amine
CID 129493232
(3S)-3-(2,3-dihydro-1-benzofuran-5-yl)morpholine;hydrochloride
CID 171193100
6-(2,3-dihydro-1-benzofuran-5-yl)piperidine-3-sulfonamide
CID 104544340
5-cyclohexyl-2,3-dihydro-1-benzofuran
CID 150562442
5-(2,3-dihydro-1-benzofuran-5-yl)-N-pyridin-3-ylpyrazolidine-3-carboxamide
CID 134086325
(4S)-7-bromo-2-(2,3-dihydro-1-benzofuran-5-yl)-3,4-dihydro-2H-chromen-4-amine
CID 104945659
4-amino-5-(2,3-dihydro-1-benzofuran-5-yl)-1,5-dihydroimidazol-2-one
CID 79960453
2-(2,3-dihydro-1-benzofuran-5-yl)cyclopropane-1-carboxylic acid
CID 43810297

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1-benzofuran-5-yl)pyrazolidin-3-amine?
The IUPAC name of 5-(2,3-dihydro-1-benzofuran-5-yl)pyrazolidin-3-amine (CID 76936947) is 5-(2,3-dihydro-1-benzofuran-5-yl)pyrazolidin-3-amine.
What is the SMILES notation for 5-(2,3-dihydro-1-benzofuran-5-yl)pyrazolidin-3-amine?
The canonical SMILES for 5-(2,3-dihydro-1-benzofuran-5-yl)pyrazolidin-3-amine is NC1CC(c2ccc3c(c2)CCO3)NN1.
What is the InChIKey of 5-(2,3-dihydro-1-benzofuran-5-yl)pyrazolidin-3-amine?
The InChIKey is DLDDTUOHHBDQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c12-11-6-9(13-14-11)7-1-2-10-8(5-7)3-4-15-10/h1-2,5,9,11,13-14H,3-4,6,12H2.
What are the key properties of 5-(2,3-dihydro-1-benzofuran-5-yl)pyrazolidin-3-amine?
5-(2,3-dihydro-1-benzofuran-5-yl)pyrazolidin-3-amine has a molecular weight of 205.26 g/mol, XLogP of 0.45, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1-benzofuran-5-yl)pyrazolidin-3-amine is sourced from PubChem (CID 76936947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).