3-pent-1-en-2-yloxypyrrolidine

C9H17NO — CID 169203730

IUPAC3-pent-1-en-2-yloxypyrrolidine
SMILESC=C(CCC)OC1CCNC1
InChIInChI=1S/C9H17NO/c1-3-4-8(2)11-9-5-6-10-7-9/h9-10H,2-7H2,1H3
InChIKeyHJQNLKNRFTWGOL-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.68
Rot. Bonds4

About 3-pent-1-en-2-yloxypyrrolidine

3-pent-1-en-2-yloxypyrrolidine (PubChem CID 169203730) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 3-pent-1-en-2-yloxypyrrolidine.

Molecular Properties

Compound Name3-pent-1-en-2-yloxypyrrolidine
PubChem CID169203730
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name3-pent-1-en-2-yloxypyrrolidine
SMILESC=C(CCC)OC1CCNC1
InChIInChI=1S/C9H17NO/c1-3-4-8(2)11-9-5-6-10-7-9/h9-10H,2-7H2,1H3
InChIKeyHJQNLKNRFTWGOL-UHFFFAOYSA-N
XLogP1.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

3-But-3-enoxypyrrolidine
CID 18337175
3-Pent-4-enoxypyrrolidine
CID 53409327
3-Ethenyl-4-propan-2-yloxypyrrolidine
CID 67033590
(3S)-3-pent-4-enoxypyrrolidine
CID 68432199
(3R)-3-pent-4-enoxypyrrolidine
CID 70253325
4-Hex-5-enoxy-2-methylpyrrolidine
CID 123373294
(3S,4R)-3-ethenyl-4-propan-2-yloxypyrrolidine
CID 141287490
3-(4-Pentenyloxy)pyrrolidine hydrochloride
CID 53409326
3-(2-Methylidenebutoxy)pyrrolidine
CID 66045027
N-(2-pent-4-enoxypropyl)butan-1-amine
CID 79112555
2-pent-4-enoxy-N-propylbutan-1-amine
CID 79113135
N-(3-ethoxypropyl)-2-pent-4-enoxypropan-1-amine
CID 79113470

Frequently Asked Questions

What is the IUPAC name of 3-pent-1-en-2-yloxypyrrolidine?
The IUPAC name of 3-pent-1-en-2-yloxypyrrolidine (CID 169203730) is 3-pent-1-en-2-yloxypyrrolidine.
What is the SMILES notation for 3-pent-1-en-2-yloxypyrrolidine?
The canonical SMILES for 3-pent-1-en-2-yloxypyrrolidine is C=C(CCC)OC1CCNC1.
What is the InChIKey of 3-pent-1-en-2-yloxypyrrolidine?
The InChIKey is HJQNLKNRFTWGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-4-8(2)11-9-5-6-10-7-9/h9-10H,2-7H2,1H3.
What are the key properties of 3-pent-1-en-2-yloxypyrrolidine?
3-pent-1-en-2-yloxypyrrolidine has a molecular weight of 155.24 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pent-1-en-2-yloxypyrrolidine is sourced from PubChem (CID 169203730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).