N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrrolidine-2-carboxamide;hydrochloride

C11H19ClN2O2 — CID 119327690

IUPACN-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NC1CC2CCC1O2)C1CCCN1
InChIInChI=1S/C11H18N2O2.ClH/c14-11(8-2-1-5-12-8)13-9-6-7-3-4-10(9)15-7;/h7-10,12H,1-6H2,(H,13,14);1H
InChIKeyPRRHTEFUVPYMJL-UHFFFAOYSA-N
MW246.74 g/mol
LogP0.60
Rot. Bonds2

About N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrrolidine-2-carboxamide;hydrochloride

N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119327690) has the molecular formula C11H19ClN2O2 and a molecular weight of 246.74 g/mol. Its IUPAC name is N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119327690
Molecular FormulaC11H19ClN2O2
Molecular Weight246.74 g/mol
Exact Mass246.11
IUPAC NameN-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NC1CC2CCC1O2)C1CCCN1
InChIInChI=1S/C11H18N2O2.ClH/c14-11(8-2-1-5-12-8)13-9-6-7-3-4-10(9)15-7;/h7-10,12H,1-6H2,(H,13,14);1H
InChIKeyPRRHTEFUVPYMJL-UHFFFAOYSA-N
XLogP0.60
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,3-thiazolidine-4-carboxamide
CID 119327692
N-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-(trifluoromethyl)piperidine-2-carboxamide
CID 114908934
N-(2-cyclopropylcyclopropyl)pyrrolidine-2-carboxamide
CID 130748065
(2R,3S)-2-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)morpholine-3-carboxamide;hydrochloride
CID 120933478
2-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cyclopentane-1-carboxamide;hydrochloride
CID 119790821
(2S)-N-cyclopropylpyrrolidine-2-carboxamide;hydrochloride
CID 66855012
N-(2-methylcyclopentyl)pyrrolidine-2-carboxamide
CID 63281892
N-(2-hydroxycyclohexyl)pyrrolidine-2-carboxamide;hydrochloride
CID 110911866
2-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 80717724
(2S)-N-(2,4-dimethylcyclohexyl)pyrrolidine-2-carboxamide
CID 63997751
N-(1-azabicyclo[2.2.2]octan-3-yl)pyrrolidine-2-carboxamide
CID 18072827
N-[(1R,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]acetamide
CID 91023793

Frequently Asked Questions

What is the IUPAC name of N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrrolidine-2-carboxamide;hydrochloride (CID 119327690) is N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrrolidine-2-carboxamide;hydrochloride is Cl.O=C(NC1CC2CCC1O2)C1CCCN1.
What is the InChIKey of N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is PRRHTEFUVPYMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2.ClH/c14-11(8-2-1-5-12-8)13-9-6-7-3-4-10(9)15-7;/h7-10,12H,1-6H2,(H,13,14);1H.
What are the key properties of N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrrolidine-2-carboxamide;hydrochloride?
N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 246.74 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119327690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).