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

C12H22N2O — CID 103069580

IUPAC[1-[2-[(cyclopropylamino)methyl]prop-2-enyl]pyrrolidin-2-yl]methanol
SMILESC=C(CNC1CC1)CN1CCCC1CO
InChIInChI=1S/C12H22N2O/c1-10(7-13-11-4-5-11)8-14-6-2-3-12(14)9-15/h11-13,15H,1-9H2
InChIKeyWVBDFGGOFLREHM-UHFFFAOYSA-N
MW210.32 g/mol
LogP0.75
Rot. Bonds6

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

[1-[2-[(cyclopropylamino)methyl]prop-2-enyl]pyrrolidin-2-yl]methanol (PubChem CID 103069580) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is [1-[2-[(cyclopropylamino)methyl]prop-2-enyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[2-[(cyclopropylamino)methyl]prop-2-enyl]pyrrolidin-2-yl]methanol
PubChem CID103069580
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name[1-[2-[(cyclopropylamino)methyl]prop-2-enyl]pyrrolidin-2-yl]methanol
SMILESC=C(CNC1CC1)CN1CCCC1CO
InChIInChI=1S/C12H22N2O/c1-10(7-13-11-4-5-11)8-14-6-2-3-12(14)9-15/h11-13,15H,1-9H2
InChIKeyWVBDFGGOFLREHM-UHFFFAOYSA-N
XLogP0.75
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.75
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

[1-[3-(Cyclopropylamino)propyl]pyrrolidin-2-yl]methanol
CID 61410922
[1-[3-(Cyclopropylamino)-2,2-dimethylpropyl]pyrrolidin-2-yl]methanol
CID 62258768
[1-[3-(Cyclopropylamino)-2-methylpropyl]pyrrolidin-2-yl]methanol
CID 64229841
[1-[2-(Methylaminomethyl)prop-2-enyl]pyrrolidin-2-yl]methanol
CID 103069574
[1-[2-[(Propan-2-ylamino)methyl]prop-2-enyl]pyrrolidin-2-yl]methanol
CID 103069575
[1-[2-(Ethylaminomethyl)prop-2-enyl]pyrrolidin-2-yl]methanol
CID 103069576
[1-[2-(Aminomethyl)prop-2-enyl]pyrrolidin-2-yl]methanol
CID 103069577
[1-[2-[(Tert-butylamino)methyl]prop-2-enyl]pyrrolidin-2-yl]methanol
CID 103069578
[1-[2-(Propylaminomethyl)prop-2-enyl]pyrrolidin-2-yl]methanol
CID 103069579
2-[Cyclopentyl-[2-[(cyclopropylamino)methyl]prop-2-enyl]amino]ethanol
CID 103070004
3-[1-[2-[(Cyclopropylamino)methyl]prop-2-enyl]pyrrolidin-2-yl]propan-1-ol
CID 103070350
1-[2-[(Cyclopropylamino)methyl]prop-2-enyl]pyrrolidin-3-ol
CID 103070393

Frequently Asked Questions

What is the IUPAC name of [1-[2-[(cyclopropylamino)methyl]prop-2-enyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[2-[(cyclopropylamino)methyl]prop-2-enyl]pyrrolidin-2-yl]methanol (CID 103069580) is [1-[2-[(cyclopropylamino)methyl]prop-2-enyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[2-[(cyclopropylamino)methyl]prop-2-enyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[2-[(cyclopropylamino)methyl]prop-2-enyl]pyrrolidin-2-yl]methanol is C=C(CNC1CC1)CN1CCCC1CO.
What is the InChIKey of [1-[2-[(cyclopropylamino)methyl]prop-2-enyl]pyrrolidin-2-yl]methanol?
The InChIKey is WVBDFGGOFLREHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-10(7-13-11-4-5-11)8-14-6-2-3-12(14)9-15/h11-13,15H,1-9H2.
What are the key properties of [1-[2-[(cyclopropylamino)methyl]prop-2-enyl]pyrrolidin-2-yl]methanol?
[1-[2-[(cyclopropylamino)methyl]prop-2-enyl]pyrrolidin-2-yl]methanol has a molecular weight of 210.32 g/mol, XLogP of 0.75, 6 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-2-yl]methanol is sourced from PubChem (CID 103069580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).