(2R)-N-(2-chloroprop-2-enyl)azetidine-2-carboxamide;hydrochloride

C7H12Cl2N2O — CID 131107148

IUPAC(2R)-N-(2-chloroprop-2-enyl)azetidine-2-carboxamide;hydrochloride
SMILESC=C(Cl)CNC(=O)[C@H]1CCN1.Cl
InChIInChI=1S/C7H11ClN2O.ClH/c1-5(8)4-10-7(11)6-2-3-9-6;/h6,9H,1-4H2,(H,10,11);1H/t6-;/m1./s1
InChIKeyNGTBOROLHRIUAX-FYZOBXCZSA-N
MW211.09 g/mol
LogP0.64
Rot. Bonds3

About (2R)-N-(2-chloroprop-2-enyl)azetidine-2-carboxamide;hydrochloride

(2R)-N-(2-chloroprop-2-enyl)azetidine-2-carboxamide;hydrochloride (PubChem CID 131107148) has the molecular formula C7H12Cl2N2O and a molecular weight of 211.09 g/mol. Its IUPAC name is (2R)-N-(2-chloroprop-2-enyl)azetidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R)-N-(2-chloroprop-2-enyl)azetidine-2-carboxamide;hydrochloride
PubChem CID131107148
Molecular FormulaC7H12Cl2N2O
Molecular Weight211.09 g/mol
Exact Mass210.03
IUPAC Name(2R)-N-(2-chloroprop-2-enyl)azetidine-2-carboxamide;hydrochloride
SMILESC=C(Cl)CNC(=O)[C@H]1CCN1.Cl
InChIInChI=1S/C7H11ClN2O.ClH/c1-5(8)4-10-7(11)6-2-3-9-6;/h6,9H,1-4H2,(H,10,11);1H/t6-;/m1./s1
InChIKeyNGTBOROLHRIUAX-FYZOBXCZSA-N
XLogP0.64
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.09
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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(2R)-N-(2-amino-2-oxoethyl)azetidine-2-carboxamide;hydrochloride
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(2S)-N-(2-bromoprop-2-enyl)piperidine-2-carboxamide;hydrochloride
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(2R)-N-(cyclopropylmethyl)azetidine-2-carboxamide;hydrochloride
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CID 107068571
N-(2-chloroprop-2-enyl)-5-oxopiperazine-2-carboxamide
CID 107437561
N-[2-(cyclopropylamino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 43419759
(2R)-N-benzylazetidine-2-carboxamide;hydrochloride
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N-[(3-hydroxycyclobutyl)methyl]azetidine-2-carboxamide
CID 127007560
N-(2-amino-2-oxoethyl)pyrrolidine-2-carboxamide
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CID 83620464

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-chloroprop-2-enyl)azetidine-2-carboxamide;hydrochloride?
The IUPAC name of (2R)-N-(2-chloroprop-2-enyl)azetidine-2-carboxamide;hydrochloride (CID 131107148) is (2R)-N-(2-chloroprop-2-enyl)azetidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2R)-N-(2-chloroprop-2-enyl)azetidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2R)-N-(2-chloroprop-2-enyl)azetidine-2-carboxamide;hydrochloride is C=C(Cl)CNC(=O)[C@H]1CCN1.Cl.
What is the InChIKey of (2R)-N-(2-chloroprop-2-enyl)azetidine-2-carboxamide;hydrochloride?
The InChIKey is NGTBOROLHRIUAX-FYZOBXCZSA-N. The full InChI is InChI=1S/C7H11ClN2O.ClH/c1-5(8)4-10-7(11)6-2-3-9-6;/h6,9H,1-4H2,(H,10,11);1H/t6-;/m1./s1.
What are the key properties of (2R)-N-(2-chloroprop-2-enyl)azetidine-2-carboxamide;hydrochloride?
(2R)-N-(2-chloroprop-2-enyl)azetidine-2-carboxamide;hydrochloride has a molecular weight of 211.09 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-chloroprop-2-enyl)azetidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 131107148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).