[1-[3-(dimethylamino)propyl]pyrrol-2-yl]methanol

C10H18N2O — CID 114526143

IUPAC[1-[3-(dimethylamino)propyl]pyrrol-2-yl]methanol
SMILESCN(C)CCCn1cccc1CO
InChIInChI=1S/C10H18N2O/c1-11(2)6-4-8-12-7-3-5-10(12)9-13/h3,5,7,13H,4,6,8-9H2,1-2H3
InChIKeyYVDSWWWLRPCBPD-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.93
Rot. Bonds5

About [1-[3-(dimethylamino)propyl]pyrrol-2-yl]methanol

[1-[3-(dimethylamino)propyl]pyrrol-2-yl]methanol (PubChem CID 114526143) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is [1-[3-(dimethylamino)propyl]pyrrol-2-yl]methanol.

Molecular Properties

Compound Name[1-[3-(dimethylamino)propyl]pyrrol-2-yl]methanol
PubChem CID114526143
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name[1-[3-(dimethylamino)propyl]pyrrol-2-yl]methanol
SMILESCN(C)CCCn1cccc1CO
InChIInChI=1S/C10H18N2O/c1-11(2)6-4-8-12-7-3-5-10(12)9-13/h3,5,7,13H,4,6,8-9H2,1-2H3
InChIKeyYVDSWWWLRPCBPD-UHFFFAOYSA-N
XLogP0.93
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[3-(dimethylamino)propyl]pyrrol-2-yl]methanol?
The IUPAC name of [1-[3-(dimethylamino)propyl]pyrrol-2-yl]methanol (CID 114526143) is [1-[3-(dimethylamino)propyl]pyrrol-2-yl]methanol.
What is the SMILES notation for [1-[3-(dimethylamino)propyl]pyrrol-2-yl]methanol?
The canonical SMILES for [1-[3-(dimethylamino)propyl]pyrrol-2-yl]methanol is CN(C)CCCn1cccc1CO.
What is the InChIKey of [1-[3-(dimethylamino)propyl]pyrrol-2-yl]methanol?
The InChIKey is YVDSWWWLRPCBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-11(2)6-4-8-12-7-3-5-10(12)9-13/h3,5,7,13H,4,6,8-9H2,1-2H3.
What are the key properties of [1-[3-(dimethylamino)propyl]pyrrol-2-yl]methanol?
[1-[3-(dimethylamino)propyl]pyrrol-2-yl]methanol has a molecular weight of 182.27 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(dimethylamino)propyl]pyrrol-2-yl]methanol is sourced from PubChem (CID 114526143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).