N-(2-bromoprop-2-enyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride

C8H14BrClN2O2 — CID 119755043

IUPACN-(2-bromoprop-2-enyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
SMILESC=C(Br)CNC(=O)C1CC(O)CN1.Cl
InChIInChI=1S/C8H13BrN2O2.ClH/c1-5(9)3-11-8(13)7-2-6(12)4-10-7;/h6-7,10,12H,1-4H2,(H,11,13);1H
InChIKeyHGITVJFRMBOGLI-UHFFFAOYSA-N
MW285.57 g/mol
LogP0.16
Rot. Bonds3

About N-(2-bromoprop-2-enyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride

N-(2-bromoprop-2-enyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119755043) has the molecular formula C8H14BrClN2O2 and a molecular weight of 285.57 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
PubChem CID119755043
Molecular FormulaC8H14BrClN2O2
Molecular Weight285.57 g/mol
Exact Mass283.99
IUPAC NameN-(2-bromoprop-2-enyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
SMILESC=C(Br)CNC(=O)C1CC(O)CN1.Cl
InChIInChI=1S/C8H13BrN2O2.ClH/c1-5(9)3-11-8(13)7-2-6(12)4-10-7;/h6-7,10,12H,1-4H2,(H,11,13);1H
InChIKeyHGITVJFRMBOGLI-UHFFFAOYSA-N
XLogP0.16
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.57
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2S,4S)-4-hydroxypyrrolidine-2-carbonyl]amino]acetic acid
CID 92860822
N-(azetidin-3-ylmethyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 131159808
N-[2-(dimethylamino)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43310992
(2R,4S)-N-ethyl-4-hydroxypyrrolidine-2-carboxamide
CID 28943534
(2R,4R)-N-(2-aminoethyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 130652446
4-hydroxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrolidine-2-carboxamide
CID 43515171
(2S)-N-(2-bromoprop-2-enyl)piperidine-2-carboxamide;hydrochloride
CID 119755042
N-[2-(cyclopropanecarbonylamino)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 115738030
N-[(2,2-dimethylcyclopropyl)methyl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119785412
4-hydroxy-N-[(1-methylcyclobutyl)methyl]pyrrolidine-2-carboxamide
CID 103812334
4-hydroxy-N-octylpyrrolidine-2-carboxamide
CID 113337253
(2S,4S)-N-[2-(dimethylamino)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 28943524

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-(2-bromoprop-2-enyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride (CID 119755043) is N-(2-bromoprop-2-enyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(2-bromoprop-2-enyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride is C=C(Br)CNC(=O)C1CC(O)CN1.Cl.
What is the InChIKey of N-(2-bromoprop-2-enyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is HGITVJFRMBOGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrN2O2.ClH/c1-5(9)3-11-8(13)7-2-6(12)4-10-7;/h6-7,10,12H,1-4H2,(H,11,13);1H.
What are the key properties of N-(2-bromoprop-2-enyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride?
N-(2-bromoprop-2-enyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 285.57 g/mol, XLogP of 0.16, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119755043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).