[1-[2-(methylaminomethyl)prop-2-enyl]pyrrolidin-2-yl]methanol

C10H20N2O — CID 103069574

IUPAC[1-[2-(methylaminomethyl)prop-2-enyl]pyrrolidin-2-yl]methanol
SMILESC=C(CNC)CN1CCCC1CO
InChIInChI=1S/C10H20N2O/c1-9(6-11-2)7-12-5-3-4-10(12)8-13/h10-11,13H,1,3-8H2,2H3
InChIKeyDCEPKVOWJDEVPG-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.22
Rot. Bonds5

About [1-[2-(methylaminomethyl)prop-2-enyl]pyrrolidin-2-yl]methanol

[1-[2-(methylaminomethyl)prop-2-enyl]pyrrolidin-2-yl]methanol (PubChem CID 103069574) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is [1-[2-(methylaminomethyl)prop-2-enyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[2-(methylaminomethyl)prop-2-enyl]pyrrolidin-2-yl]methanol
PubChem CID103069574
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name[1-[2-(methylaminomethyl)prop-2-enyl]pyrrolidin-2-yl]methanol
SMILESC=C(CNC)CN1CCCC1CO
InChIInChI=1S/C10H20N2O/c1-9(6-11-2)7-12-5-3-4-10(12)8-13/h10-11,13H,1,3-8H2,2H3
InChIKeyDCEPKVOWJDEVPG-UHFFFAOYSA-N
XLogP0.22
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(methylaminomethyl)prop-2-enyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[2-(methylaminomethyl)prop-2-enyl]pyrrolidin-2-yl]methanol (CID 103069574) is [1-[2-(methylaminomethyl)prop-2-enyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[2-(methylaminomethyl)prop-2-enyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[2-(methylaminomethyl)prop-2-enyl]pyrrolidin-2-yl]methanol is C=C(CNC)CN1CCCC1CO.
What is the InChIKey of [1-[2-(methylaminomethyl)prop-2-enyl]pyrrolidin-2-yl]methanol?
The InChIKey is DCEPKVOWJDEVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-9(6-11-2)7-12-5-3-4-10(12)8-13/h10-11,13H,1,3-8H2,2H3.
What are the key properties of [1-[2-(methylaminomethyl)prop-2-enyl]pyrrolidin-2-yl]methanol?
[1-[2-(methylaminomethyl)prop-2-enyl]pyrrolidin-2-yl]methanol has a molecular weight of 184.28 g/mol, XLogP of 0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(methylaminomethyl)prop-2-enyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 103069574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).