1-but-3-ynyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol

C11H20N2O — CID 66056646

IUPAC1-but-3-ynyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol
SMILESC#CCCN1CC(O)CC1CN(C)C
InChIInChI=1S/C11H20N2O/c1-4-5-6-13-9-11(14)7-10(13)8-12(2)3/h1,10-11,14H,5-9H2,2-3H3
InChIKeyRLWPAJJRSWGXMU-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.01
Rot. Bonds4

About 1-but-3-ynyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol

1-but-3-ynyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol (PubChem CID 66056646) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-but-3-ynyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-but-3-ynyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol
PubChem CID66056646
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1-but-3-ynyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol
SMILESC#CCCN1CC(O)CC1CN(C)C
InChIInChI=1S/C11H20N2O/c1-4-5-6-13-9-11(14)7-10(13)8-12(2)3/h1,10-11,14H,5-9H2,2-3H3
InChIKeyRLWPAJJRSWGXMU-UHFFFAOYSA-N
XLogP0.01
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-[(dimethylamino)methyl]-1-(3-methoxypropyl)pyrrolidin-3-ol
CID 66053960
5-[(dimethylamino)methyl]-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidin-3-ol
CID 82892577
1-but-2-ynyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66053040
5-[(dimethylamino)methyl]-1-pent-4-enylpyrrolidin-3-ol
CID 66051859
1-[2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 66053218
4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butanethioamide
CID 66055213
6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]hexan-3-one
CID 106801504
potassium [2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methyl-trifluoroboranuide
CID 66052358
1-(2-bromoprop-2-enyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66054174
5-[(dimethylamino)methyl]-1-(2-pyrazol-1-ylethyl)pyrrolidin-3-ol
CID 66053792
4-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]butanehydrazide
CID 66051201
2-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 66052045

Frequently Asked Questions

What is the IUPAC name of 1-but-3-ynyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The IUPAC name of 1-but-3-ynyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol (CID 66056646) is 1-but-3-ynyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-but-3-ynyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-but-3-ynyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol is C#CCCN1CC(O)CC1CN(C)C.
What is the InChIKey of 1-but-3-ynyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The InChIKey is RLWPAJJRSWGXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-4-5-6-13-9-11(14)7-10(13)8-12(2)3/h1,10-11,14H,5-9H2,2-3H3.
What are the key properties of 1-but-3-ynyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
1-but-3-ynyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol has a molecular weight of 196.29 g/mol, XLogP of 0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-ynyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 66056646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).