2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;hydrochloride

C16H21ClN2O3 — CID 119453757

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCNC1)C1CC1c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H20N2O3.ClH/c19-16(18-11-3-4-17-9-11)13-8-12(13)10-1-2-14-15(7-10)21-6-5-20-14;/h1-2,7,11-13,17H,3-6,8-9H2,(H,18,19);1H
InChIKeyVRSOOMCJSWGCPC-UHFFFAOYSA-N
MW324.81 g/mol
LogP1.46
Rot. Bonds3

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;hydrochloride

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;hydrochloride (PubChem CID 119453757) has the molecular formula C16H21ClN2O3 and a molecular weight of 324.81 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;hydrochloride
PubChem CID119453757
Molecular FormulaC16H21ClN2O3
Molecular Weight324.81 g/mol
Exact Mass324.12
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCNC1)C1CC1c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H20N2O3.ClH/c19-16(18-11-3-4-17-9-11)13-8-12(13)10-1-2-14-15(7-10)21-6-5-20-14;/h1-2,7,11-13,17H,3-6,8-9H2,(H,18,19);1H
InChIKeyVRSOOMCJSWGCPC-UHFFFAOYSA-N
XLogP1.46
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-pyrrolidin-3-ylethyl)cyclopropane-1-carboxamide;hydrochloride
CID 119537595
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-pyrrolidin-3-ylethyl)cyclopropane-1-carboxamide
CID 119537596
2-(3,4-dichlorophenyl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide
CID 119451122
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(piperidin-3-ylmethyl)cyclopropane-1-carboxamide
CID 119464046
2-(3,5-dichlorophenyl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;hydrochloride
CID 119449999
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-piperazin-1-ylethyl)cyclopropane-1-carboxamide;hydrochloride
CID 119448721
2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxylic acid
CID 43810303
cis-(1S,2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxylic acid
CID 39244283
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-piperazin-1-ylethyl)cyclopropane-1-carboxamide
CID 119448722
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-piperazin-1-ylmethanone
CID 119403427
cis-(1R,2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 96564617
cis-(1S,2R)-N-(4-bromophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxamide
CID 96564771

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;hydrochloride (CID 119453757) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;hydrochloride is Cl.O=C(NC1CCNC1)C1CC1c1ccc2c(c1)OCCO2.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;hydrochloride?
The InChIKey is VRSOOMCJSWGCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3.ClH/c19-16(18-11-3-4-17-9-11)13-8-12(13)10-1-2-14-15(7-10)21-6-5-20-14;/h1-2,7,11-13,17H,3-6,8-9H2,(H,18,19);1H.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;hydrochloride?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;hydrochloride has a molecular weight of 324.81 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119453757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).