(3R,4R)-4-prop-2-enoxypyrrolidin-3-amine

C7H14N2O — CID 163445721

IUPAC(3R,4R)-4-prop-2-enoxypyrrolidin-3-amine
SMILESC=CCO[C@@H]1CNC[C@H]1N
InChIInChI=1S/C7H14N2O/c1-2-3-10-7-5-9-4-6(7)8/h2,6-7,9H,1,3-5,8H2/t6-,7-/m1/s1
InChIKeyBCINRBVIMZNXKQ-RNFRBKRXSA-N
MW142.20 g/mol
LogP-0.51
Rot. Bonds3

About (3R,4R)-4-prop-2-enoxypyrrolidin-3-amine

(3R,4R)-4-prop-2-enoxypyrrolidin-3-amine (PubChem CID 163445721) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is (3R,4R)-4-prop-2-enoxypyrrolidin-3-amine.

Molecular Properties

Compound Name(3R,4R)-4-prop-2-enoxypyrrolidin-3-amine
PubChem CID163445721
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name(3R,4R)-4-prop-2-enoxypyrrolidin-3-amine
SMILESC=CCO[C@@H]1CNC[C@H]1N
InChIInChI=1S/C7H14N2O/c1-2-3-10-7-5-9-4-6(7)8/h2,6-7,9H,1,3-5,8H2/t6-,7-/m1/s1
InChIKeyBCINRBVIMZNXKQ-RNFRBKRXSA-N
XLogP-0.51
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3R,4R)-4-prop-2-enoxypyrrolidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(Prop-2-en-1-yloxy)pyrrolidine hydrochloride
CID 45075459
(3S)-3-(prop-2-en-1-yloxy)pyrrolidine hydrochloride
CID 132398761
(3S)-3-(prop-2-en-1-yloxy)pyrrolidine
CID 26191822
3-Fluoro-4-(prop-2-en-1-yloxy)pyrrolidine
CID 168016825
(3R)-3-(prop-2-en-1-yloxy)pyrrolidine
CID 26191819
3-(Prop-2-en-1-yloxy)pyrrolidine
CID 45075460
1-cyclopropyl-5-methyl-N-(2-prop-2-enoxypropyl)pyrrolidin-3-amine
CID 114264046
(3R)-3-(prop-2-en-1-yloxy)pyrrolidine hydrochloride
CID 137699030

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-prop-2-enoxypyrrolidin-3-amine?
The IUPAC name of (3R,4R)-4-prop-2-enoxypyrrolidin-3-amine (CID 163445721) is (3R,4R)-4-prop-2-enoxypyrrolidin-3-amine.
What is the SMILES notation for (3R,4R)-4-prop-2-enoxypyrrolidin-3-amine?
The canonical SMILES for (3R,4R)-4-prop-2-enoxypyrrolidin-3-amine is C=CCO[C@@H]1CNC[C@H]1N.
What is the InChIKey of (3R,4R)-4-prop-2-enoxypyrrolidin-3-amine?
The InChIKey is BCINRBVIMZNXKQ-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H14N2O/c1-2-3-10-7-5-9-4-6(7)8/h2,6-7,9H,1,3-5,8H2/t6-,7-/m1/s1.
What are the key properties of (3R,4R)-4-prop-2-enoxypyrrolidin-3-amine?
(3R,4R)-4-prop-2-enoxypyrrolidin-3-amine has a molecular weight of 142.20 g/mol, XLogP of -0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-prop-2-enoxypyrrolidin-3-amine is sourced from PubChem (CID 163445721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).