1-(2-bromoprop-2-enyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol

C10H19BrN2O — CID 66054174

IUPAC1-(2-bromoprop-2-enyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
SMILESC=C(Br)CN1CC(O)CC1CN(C)C
InChIInChI=1S/C10H19BrN2O/c1-8(11)5-13-7-10(14)4-9(13)6-12(2)3/h9-10,14H,1,4-7H2,2-3H3
InChIKeyWYOARYBRHJTVGR-UHFFFAOYSA-N
MW263.18 g/mol
LogP0.89
Rot. Bonds4

About 1-(2-bromoprop-2-enyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol

1-(2-bromoprop-2-enyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol (PubChem CID 66054174) has the molecular formula C10H19BrN2O and a molecular weight of 263.18 g/mol. Its IUPAC name is 1-(2-bromoprop-2-enyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(2-bromoprop-2-enyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
PubChem CID66054174
Molecular FormulaC10H19BrN2O
Molecular Weight263.18 g/mol
Exact Mass262.07
IUPAC Name1-(2-bromoprop-2-enyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
SMILESC=C(Br)CN1CC(O)CC1CN(C)C
InChIInChI=1S/C10H19BrN2O/c1-8(11)5-13-7-10(14)4-9(13)6-12(2)3/h9-10,14H,1,4-7H2,2-3H3
InChIKeyWYOARYBRHJTVGR-UHFFFAOYSA-N
XLogP0.89
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.18
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-but-2-ynyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66053040
2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 66052045
potassium [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl-trifluoroboranuide
CID 66052358
5-[(dimethylamino)methyl]-1-pent-4-enylpyrrolidin-3-ol
CID 66051859
1-but-3-ynyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66056646
5-[(dimethylamino)methyl]-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-3-ol
CID 82892577
5-[(dimethylamino)methyl]-1-(2-methylpentyl)pyrrolidin-3-ol
CID 66051476
5-[(dimethylamino)methyl]-1-(3-methoxypropyl)pyrrolidin-3-ol
CID 66053960
1-(3-amino-2-hydroxypropyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 104643439
4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butanethioamide
CID 66055213
1-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 66053218
2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone
CID 66055638

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoprop-2-enyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The IUPAC name of 1-(2-bromoprop-2-enyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol (CID 66054174) is 1-(2-bromoprop-2-enyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-(2-bromoprop-2-enyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-(2-bromoprop-2-enyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol is C=C(Br)CN1CC(O)CC1CN(C)C.
What is the InChIKey of 1-(2-bromoprop-2-enyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The InChIKey is WYOARYBRHJTVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrN2O/c1-8(11)5-13-7-10(14)4-9(13)6-12(2)3/h9-10,14H,1,4-7H2,2-3H3.
What are the key properties of 1-(2-bromoprop-2-enyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
1-(2-bromoprop-2-enyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol has a molecular weight of 263.18 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoprop-2-enyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 66054174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).