N-(3-azabicyclo[3.1.0]hexan-6-yl)pyrrolidine-3-carboxamide;hydrochloride

C10H18ClN3O — CID 130644756

IUPACN-(3-azabicyclo[3.1.0]hexan-6-yl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NC1C2CNCC21)C1CCNC1
InChIInChI=1S/C10H17N3O.ClH/c14-10(6-1-2-11-3-6)13-9-7-4-12-5-8(7)9;/h6-9,11-12H,1-5H2,(H,13,14);1H
InChIKeyTXIBFGAMEZFPDT-UHFFFAOYSA-N
MW231.73 g/mol
LogP-0.65
Rot. Bonds2

About N-(3-azabicyclo[3.1.0]hexan-6-yl)pyrrolidine-3-carboxamide;hydrochloride

N-(3-azabicyclo[3.1.0]hexan-6-yl)pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 130644756) has the molecular formula C10H18ClN3O and a molecular weight of 231.73 g/mol. Its IUPAC name is N-(3-azabicyclo[3.1.0]hexan-6-yl)pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-azabicyclo[3.1.0]hexan-6-yl)pyrrolidine-3-carboxamide;hydrochloride
PubChem CID130644756
Molecular FormulaC10H18ClN3O
Molecular Weight231.73 g/mol
Exact Mass231.11
IUPAC NameN-(3-azabicyclo[3.1.0]hexan-6-yl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NC1C2CNCC21)C1CCNC1
InChIInChI=1S/C10H17N3O.ClH/c14-10(6-1-2-11-3-6)13-9-7-4-12-5-8(7)9;/h6-9,11-12H,1-5H2,(H,13,14);1H
InChIKeyTXIBFGAMEZFPDT-UHFFFAOYSA-N
XLogP-0.65
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.73
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(2-methylpropyl)pyrrolidine-3-carboxamide;hydrochloride
CID 130617113
(3S)-N-(2-cyclopropylcyclopropyl)pyrrolidine-3-carboxamide
CID 130763155
(3S)-N-(2-ethylcyclopropyl)pyrrolidine-3-carboxamide;hydrochloride
CID 131089746
(2R)-N-(3-azabicyclo[3.1.0]hexan-6-yl)azetidine-2-carboxamide
CID 130636996
N-(2-methylcyclopropyl)pyrrolidine-3-carboxamide
CID 63006462
N-(2-carbamoylcyclohexyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119802178
2-(pyrrolidine-3-carbonylamino)cyclohexane-1-carboxylic acid
CID 64817965
2-(pyrrolidine-3-carbonylamino)cyclopentane-1-carboxylic acid
CID 64814811
N-(2-fluoroethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 87325134
(3S)-N-(2-amino-2-oxoethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 130670847
N-(4-propan-2-ylcyclohexyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119812040
N-[(3R)-pyrrolidin-3-yl]piperidine-4-carboxamide
CID 91470745

Frequently Asked Questions

What is the IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)pyrrolidine-3-carboxamide;hydrochloride (CID 130644756) is N-(3-azabicyclo[3.1.0]hexan-6-yl)pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-azabicyclo[3.1.0]hexan-6-yl)pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(3-azabicyclo[3.1.0]hexan-6-yl)pyrrolidine-3-carboxamide;hydrochloride is Cl.O=C(NC1C2CNCC21)C1CCNC1.
What is the InChIKey of N-(3-azabicyclo[3.1.0]hexan-6-yl)pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is TXIBFGAMEZFPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O.ClH/c14-10(6-1-2-11-3-6)13-9-7-4-12-5-8(7)9;/h6-9,11-12H,1-5H2,(H,13,14);1H.
What are the key properties of N-(3-azabicyclo[3.1.0]hexan-6-yl)pyrrolidine-3-carboxamide;hydrochloride?
N-(3-azabicyclo[3.1.0]hexan-6-yl)pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 231.73 g/mol, XLogP of -0.65, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-azabicyclo[3.1.0]hexan-6-yl)pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 130644756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).