1-[2-[(cyclopropylamino)methyl]prop-2-enyl]pyrrolidin-3-ol

C11H20N2O — CID 103070393

IUPAC1-[2-[(cyclopropylamino)methyl]prop-2-enyl]pyrrolidin-3-ol
SMILESC=C(CNC1CC1)CN1CCC(O)C1
InChIInChI=1S/C11H20N2O/c1-9(6-12-10-2-3-10)7-13-5-4-11(14)8-13/h10-12,14H,1-8H2
InChIKeyDBCCITMVQJAERO-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.36
Rot. Bonds5

About 1-[2-[(cyclopropylamino)methyl]prop-2-enyl]pyrrolidin-3-ol

1-[2-[(cyclopropylamino)methyl]prop-2-enyl]pyrrolidin-3-ol (PubChem CID 103070393) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-[2-[(cyclopropylamino)methyl]prop-2-enyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[2-[(cyclopropylamino)methyl]prop-2-enyl]pyrrolidin-3-ol
PubChem CID103070393
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1-[2-[(cyclopropylamino)methyl]prop-2-enyl]pyrrolidin-3-ol
SMILESC=C(CNC1CC1)CN1CCC(O)C1
InChIInChI=1S/C11H20N2O/c1-9(6-12-10-2-3-10)7-13-5-4-11(14)8-13/h10-12,14H,1-8H2
InChIKeyDBCCITMVQJAERO-UHFFFAOYSA-N
XLogP0.36
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Amino-1-(3-methylidenepyrrolidin-1-yl)butan-2-ol
CID 171788286
1-[3-(Cyclopropylamino)-2,2-dimethylpropyl]pyrrolidin-3-ol
CID 62941548
1-[3-(Cyclopropylamino)propyl]pyrrolidin-3-ol
CID 62942089
1-[3-(Cyclopropylamino)-2-methylpropyl]pyrrolidin-3-ol
CID 64230325
[1-[2-[(Cyclopropylamino)methyl]prop-2-enyl]pyrrolidin-2-yl]methanol
CID 103069580
2-[Butyl-[2-[(cyclopropylamino)methyl]prop-2-enyl]amino]ethanol
CID 103069828
1-[2-[(Cyclopropylamino)methyl]prop-2-enyl-methylamino]propan-2-ol
CID 103070339
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-(Aminomethyl)prop-2-enyl]pyrrolidin-3-ol
CID 103070390
1-[2-[(Tert-butylamino)methyl]prop-2-enyl]pyrrolidin-3-ol
CID 103070391

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(cyclopropylamino)methyl]prop-2-enyl]pyrrolidin-3-ol?
The IUPAC name of 1-[2-[(cyclopropylamino)methyl]prop-2-enyl]pyrrolidin-3-ol (CID 103070393) is 1-[2-[(cyclopropylamino)methyl]prop-2-enyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[2-[(cyclopropylamino)methyl]prop-2-enyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[2-[(cyclopropylamino)methyl]prop-2-enyl]pyrrolidin-3-ol is C=C(CNC1CC1)CN1CCC(O)C1.
What is the InChIKey of 1-[2-[(cyclopropylamino)methyl]prop-2-enyl]pyrrolidin-3-ol?
The InChIKey is DBCCITMVQJAERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-9(6-12-10-2-3-10)7-13-5-4-11(14)8-13/h10-12,14H,1-8H2.
What are the key properties of 1-[2-[(cyclopropylamino)methyl]prop-2-enyl]pyrrolidin-3-ol?
1-[2-[(cyclopropylamino)methyl]prop-2-enyl]pyrrolidin-3-ol has a molecular weight of 196.29 g/mol, XLogP of 0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(cyclopropylamino)methyl]prop-2-enyl]pyrrolidin-3-ol is sourced from PubChem (CID 103070393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).