1-(prop-2-enylamino)-3-pyrrolidin-1-ylpropan-2-ol

C10H20N2O — CID 60729317

IUPAC1-(prop-2-enylamino)-3-pyrrolidin-1-ylpropan-2-ol
SMILESC=CCNCC(O)CN1CCCC1
InChIInChI=1S/C10H20N2O/c1-2-5-11-8-10(13)9-12-6-3-4-7-12/h2,10-11,13H,1,3-9H2
InChIKeyAFDBLIGXBGABDH-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.22
Rot. Bonds6

About 1-(prop-2-enylamino)-3-pyrrolidin-1-ylpropan-2-ol

1-(prop-2-enylamino)-3-pyrrolidin-1-ylpropan-2-ol (PubChem CID 60729317) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-(prop-2-enylamino)-3-pyrrolidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-(prop-2-enylamino)-3-pyrrolidin-1-ylpropan-2-ol
PubChem CID60729317
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1-(prop-2-enylamino)-3-pyrrolidin-1-ylpropan-2-ol
SMILESC=CCNCC(O)CN1CCCC1
InChIInChI=1S/C10H20N2O/c1-2-5-11-8-10(13)9-12-6-3-4-7-12/h2,10-11,13H,1,3-9H2
InChIKeyAFDBLIGXBGABDH-UHFFFAOYSA-N
XLogP0.22
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(prop-2-enylamino)-3-pyrrolidin-1-ylpropan-2-ol?
The IUPAC name of 1-(prop-2-enylamino)-3-pyrrolidin-1-ylpropan-2-ol (CID 60729317) is 1-(prop-2-enylamino)-3-pyrrolidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-(prop-2-enylamino)-3-pyrrolidin-1-ylpropan-2-ol?
The canonical SMILES for 1-(prop-2-enylamino)-3-pyrrolidin-1-ylpropan-2-ol is C=CCNCC(O)CN1CCCC1.
What is the InChIKey of 1-(prop-2-enylamino)-3-pyrrolidin-1-ylpropan-2-ol?
The InChIKey is AFDBLIGXBGABDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-2-5-11-8-10(13)9-12-6-3-4-7-12/h2,10-11,13H,1,3-9H2.
What are the key properties of 1-(prop-2-enylamino)-3-pyrrolidin-1-ylpropan-2-ol?
1-(prop-2-enylamino)-3-pyrrolidin-1-ylpropan-2-ol has a molecular weight of 184.28 g/mol, XLogP of 0.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(prop-2-enylamino)-3-pyrrolidin-1-ylpropan-2-ol is sourced from PubChem (CID 60729317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).