2-prop-2-enoxypyrrolidine

C7H13NO — CID 173049550

IUPAC2-prop-2-enoxypyrrolidine
SMILESC=CCOC1CCCN1
InChIInChI=1S/C7H13NO/c1-2-6-9-7-4-3-5-8-7/h2,7-8H,1,3-6H2
InChIKeyAHKWOOFBUBAOSY-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.90
Rot. Bonds3

About 2-prop-2-enoxypyrrolidine

2-prop-2-enoxypyrrolidine (PubChem CID 173049550) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 2-prop-2-enoxypyrrolidine.

Molecular Properties

Compound Name2-prop-2-enoxypyrrolidine
PubChem CID173049550
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name2-prop-2-enoxypyrrolidine
SMILESC=CCOC1CCCN1
InChIInChI=1S/C7H13NO/c1-2-6-9-7-4-3-5-8-7/h2,7-8H,1,3-6H2
InChIKeyAHKWOOFBUBAOSY-UHFFFAOYSA-N
XLogP0.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxyazepane
CID 133058336
2-prop-2-enyl(213C)azolidine
CID 173137372
4-prop-2-enoxypiperidine
CID 15172751
(3S)-3-prop-2-enoxypyrrolidine
CID 26191822
ethane;4-prop-2-enoxypiperidine
CID 171805898
methanol;2-methoxypyrrolidine
CID 171535851
(2S,3S)-2-prop-2-enylpiperidin-3-ol
CID 55287221
prop-2-enyl 3-hydroxy-3-[(2S)-pyrrolidin-2-yl]propanoate
CID 156808162
(2S)-2-methoxypiperidine
CID 92859639
1-pyrrolidin-2-ylbut-3-en-1-ol
CID 72814698
(2S)-2-(2-methylpropyl)pyrrolidine;molecular hydrogen
CID 142042486
trans-(1R,2R)-2-prop-2-enoxycyclopentan-1-ol
CID 11205806

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enoxypyrrolidine?
The IUPAC name of 2-prop-2-enoxypyrrolidine (CID 173049550) is 2-prop-2-enoxypyrrolidine.
What is the SMILES notation for 2-prop-2-enoxypyrrolidine?
The canonical SMILES for 2-prop-2-enoxypyrrolidine is C=CCOC1CCCN1.
What is the InChIKey of 2-prop-2-enoxypyrrolidine?
The InChIKey is AHKWOOFBUBAOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-2-6-9-7-4-3-5-8-7/h2,7-8H,1,3-6H2.
What are the key properties of 2-prop-2-enoxypyrrolidine?
2-prop-2-enoxypyrrolidine has a molecular weight of 127.19 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enoxypyrrolidine is sourced from PubChem (CID 173049550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).