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

C10H20N2O — CID 103070389

IUPAC1-[2-(ethylaminomethyl)prop-2-enyl]pyrrolidin-3-ol
SMILESC=C(CNCC)CN1CCC(O)C1
InChIInChI=1S/C10H20N2O/c1-3-11-6-9(2)7-12-5-4-10(13)8-12/h10-11,13H,2-8H2,1H3
InChIKeyBOKYSILZMSVTBV-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.22
Rot. Bonds5

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

1-[2-(ethylaminomethyl)prop-2-enyl]pyrrolidin-3-ol (PubChem CID 103070389) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-[2-(ethylaminomethyl)prop-2-enyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[2-(ethylaminomethyl)prop-2-enyl]pyrrolidin-3-ol
PubChem CID103070389
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1-[2-(ethylaminomethyl)prop-2-enyl]pyrrolidin-3-ol
SMILESC=C(CNCC)CN1CCC(O)C1
InChIInChI=1S/C10H20N2O/c1-3-11-6-9(2)7-12-5-4-10(13)8-12/h10-11,13H,2-8H2,1H3
InChIKeyBOKYSILZMSVTBV-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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Related Compounds

(3S)-1-[3-(tert-butylamino)propyl]pyrrolidin-3-ol
CID 58421498
(3R)-1-[3-(tert-butylamino)propyl]pyrrolidin-3-ol
CID 58421522
1-[3-(Methylamino)propyl]pyrrolidin-3-ol
CID 62942271
(3R)-1-[3-(methylamino)propyl]pyrrolidin-3-ol
CID 68233512
(3S)-1-[3-(methylamino)propyl]pyrrolidin-3-ol
CID 68233517
1-Ethyl-4-(methylaminomethyl)pyrrolidin-3-ol
CID 130224803
(3S)-1-[3-(ethylamino)propyl]pyrrolidin-3-ol
CID 144240053
Ethane;1-methyl-4-(methylaminomethyl)pyrrolidin-3-ol
CID 145349537
(3S)-1-[(E)-4-aminobut-2-enyl]pyrrolidin-3-ol
CID 150775197
(3R)-1-[(E)-4-aminobut-2-enyl]pyrrolidin-3-ol
CID 150775198
4-Amino-1-(3-methylidenepyrrolidin-1-yl)butan-2-ol
CID 171788286
1-(Prop-2-enylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 60729317

Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethylaminomethyl)prop-2-enyl]pyrrolidin-3-ol?
The IUPAC name of 1-[2-(ethylaminomethyl)prop-2-enyl]pyrrolidin-3-ol (CID 103070389) is 1-[2-(ethylaminomethyl)prop-2-enyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[2-(ethylaminomethyl)prop-2-enyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[2-(ethylaminomethyl)prop-2-enyl]pyrrolidin-3-ol is C=C(CNCC)CN1CCC(O)C1.
What is the InChIKey of 1-[2-(ethylaminomethyl)prop-2-enyl]pyrrolidin-3-ol?
The InChIKey is BOKYSILZMSVTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-3-11-6-9(2)7-12-5-4-10(13)8-12/h10-11,13H,2-8H2,1H3.
What are the key properties of 1-[2-(ethylaminomethyl)prop-2-enyl]pyrrolidin-3-ol?
1-[2-(ethylaminomethyl)prop-2-enyl]pyrrolidin-3-ol 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-(ethylaminomethyl)prop-2-enyl]pyrrolidin-3-ol is sourced from PubChem (CID 103070389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).