N-methylmorpholine-3-carboxamide;hydrochloride

C6H13ClN2O2 — CID 138040276

IUPACN-methylmorpholine-3-carboxamide;hydrochloride
SMILESCNC(=O)C1COCCN1.Cl
InChIInChI=1S/C6H12N2O2.ClH/c1-7-6(9)5-4-10-3-2-8-5;/h5,8H,2-4H2,1H3,(H,7,9);1H
InChIKeyCISXYWCVLXAKBZ-UHFFFAOYSA-N
MW180.63 g/mol
LogP-0.86
Rot. Bonds1

About N-methylmorpholine-3-carboxamide;hydrochloride

N-methylmorpholine-3-carboxamide;hydrochloride (PubChem CID 138040276) has the molecular formula C6H13ClN2O2 and a molecular weight of 180.63 g/mol. Its IUPAC name is N-methylmorpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-methylmorpholine-3-carboxamide;hydrochloride
PubChem CID138040276
Molecular FormulaC6H13ClN2O2
Molecular Weight180.63 g/mol
Exact Mass180.07
IUPAC NameN-methylmorpholine-3-carboxamide;hydrochloride
SMILESCNC(=O)C1COCCN1.Cl
InChIInChI=1S/C6H12N2O2.ClH/c1-7-6(9)5-4-10-3-2-8-5;/h5,8H,2-4H2,1H3,(H,7,9);1H
InChIKeyCISXYWCVLXAKBZ-UHFFFAOYSA-N
XLogP-0.86
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.63
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methylmorpholine-3-carboxamide;hydrochloride?
The IUPAC name of N-methylmorpholine-3-carboxamide;hydrochloride (CID 138040276) is N-methylmorpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-methylmorpholine-3-carboxamide;hydrochloride?
The canonical SMILES for N-methylmorpholine-3-carboxamide;hydrochloride is CNC(=O)C1COCCN1.Cl.
What is the InChIKey of N-methylmorpholine-3-carboxamide;hydrochloride?
The InChIKey is CISXYWCVLXAKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2.ClH/c1-7-6(9)5-4-10-3-2-8-5;/h5,8H,2-4H2,1H3,(H,7,9);1H.
What are the key properties of N-methylmorpholine-3-carboxamide;hydrochloride?
N-methylmorpholine-3-carboxamide;hydrochloride has a molecular weight of 180.63 g/mol, XLogP of -0.86, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylmorpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 138040276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).