1-[2-[(cyclopropylamino)methyl]prop-2-enyl]pyrrolidine-3,4-diol

C11H20N2O2 — CID 106673564

IUPAC1-[2-[(cyclopropylamino)methyl]prop-2-enyl]pyrrolidine-3,4-diol
SMILESC=C(CNC1CC1)CN1CC(O)C(O)C1
InChIInChI=1S/C11H20N2O2/c1-8(4-12-9-2-3-9)5-13-6-10(14)11(15)7-13/h9-12,14-15H,1-7H2
InChIKeyFQPWJZAANGPWQW-UHFFFAOYSA-N
MW212.29 g/mol
LogP-0.67
Rot. Bonds5

About 1-[2-[(cyclopropylamino)methyl]prop-2-enyl]pyrrolidine-3,4-diol

1-[2-[(cyclopropylamino)methyl]prop-2-enyl]pyrrolidine-3,4-diol (PubChem CID 106673564) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-[2-[(cyclopropylamino)methyl]prop-2-enyl]pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-[2-[(cyclopropylamino)methyl]prop-2-enyl]pyrrolidine-3,4-diol
PubChem CID106673564
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-[2-[(cyclopropylamino)methyl]prop-2-enyl]pyrrolidine-3,4-diol
SMILESC=C(CNC1CC1)CN1CC(O)C(O)C1
InChIInChI=1S/C11H20N2O2/c1-8(4-12-9-2-3-9)5-13-6-10(14)11(15)7-13/h9-12,14-15H,1-7H2
InChIKeyFQPWJZAANGPWQW-UHFFFAOYSA-N
XLogP-0.67
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]propane-1,2-diol
CID 61142980
(2S)-3-[(1-cyclopropylpyrrolidin-3-yl)amino]propane-1,2-diol
CID 61820375
3-[(1-Cyclopropylpyrrolidin-3-yl)amino]propane-1,2-diol
CID 66177163
3-[(1-Cyclopropylpyrrolidin-3-yl)methylamino]propane-1,2-diol
CID 76891667
1-[2-[(Cyclopropylamino)methyl]prop-2-enyl-methylamino]-3-methoxypropan-2-ol
CID 103069988
1-[2-(Methylaminomethyl)prop-2-enyl]pyrrolidin-3-ol
CID 103070387
1-[2-[(Propan-2-ylamino)methyl]prop-2-enyl]pyrrolidin-3-ol
CID 103070388
1-[2-(Ethylaminomethyl)prop-2-enyl]pyrrolidin-3-ol
CID 103070389
1-[2-[(Tert-butylamino)methyl]prop-2-enyl]pyrrolidin-3-ol
CID 103070391
1-[2-(Propylaminomethyl)prop-2-enyl]pyrrolidin-3-ol
CID 103070392
1-[2-[(Cyclopropylamino)methyl]prop-2-enyl]pyrrolidin-3-ol
CID 103070393
4-[2-[(Cyclopropylamino)methyl]prop-2-enyl-methylamino]butan-2-ol
CID 103071293

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(cyclopropylamino)methyl]prop-2-enyl]pyrrolidine-3,4-diol?
The IUPAC name of 1-[2-[(cyclopropylamino)methyl]prop-2-enyl]pyrrolidine-3,4-diol (CID 106673564) is 1-[2-[(cyclopropylamino)methyl]prop-2-enyl]pyrrolidine-3,4-diol.
What is the SMILES notation for 1-[2-[(cyclopropylamino)methyl]prop-2-enyl]pyrrolidine-3,4-diol?
The canonical SMILES for 1-[2-[(cyclopropylamino)methyl]prop-2-enyl]pyrrolidine-3,4-diol is C=C(CNC1CC1)CN1CC(O)C(O)C1.
What is the InChIKey of 1-[2-[(cyclopropylamino)methyl]prop-2-enyl]pyrrolidine-3,4-diol?
The InChIKey is FQPWJZAANGPWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-8(4-12-9-2-3-9)5-13-6-10(14)11(15)7-13/h9-12,14-15H,1-7H2.
What are the key properties of 1-[2-[(cyclopropylamino)methyl]prop-2-enyl]pyrrolidine-3,4-diol?
1-[2-[(cyclopropylamino)methyl]prop-2-enyl]pyrrolidine-3,4-diol has a molecular weight of 212.29 g/mol, XLogP of -0.67, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(cyclopropylamino)methyl]prop-2-enyl]pyrrolidine-3,4-diol is sourced from PubChem (CID 106673564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).