1-[[(2R,3S,6S)-6-methyl-3-prop-1-en-2-yloxan-2-yl]methyl]pyrrolidine

C14H25NO — CID 7078986

IUPAC1-[[(2R,3S,6S)-6-methyl-3-prop-1-en-2-yloxan-2-yl]methyl]pyrrolidine
SMILESC=C(C)[C@@H]1CC[C@H](C)O[C@H]1CN1CCCC1
InChIInChI=1S/C14H25NO/c1-11(2)13-7-6-12(3)16-14(13)10-15-8-4-5-9-15/h12-14H,1,4-10H2,2-3H3/t12-,13-,14-/m0/s1
InChIKeyOESHVYGQGUCFKO-IHRRRGAJSA-N
MW223.36 g/mol
LogP2.84
Rot. Bonds3

About 1-[[(2R,3S,6S)-6-methyl-3-prop-1-en-2-yloxan-2-yl]methyl]pyrrolidine

1-[[(2R,3S,6S)-6-methyl-3-prop-1-en-2-yloxan-2-yl]methyl]pyrrolidine (PubChem CID 7078986) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-[[(2R,3S,6S)-6-methyl-3-prop-1-en-2-yloxan-2-yl]methyl]pyrrolidine.

Molecular Properties

Compound Name1-[[(2R,3S,6S)-6-methyl-3-prop-1-en-2-yloxan-2-yl]methyl]pyrrolidine
PubChem CID7078986
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name1-[[(2R,3S,6S)-6-methyl-3-prop-1-en-2-yloxan-2-yl]methyl]pyrrolidine
SMILESC=C(C)[C@@H]1CC[C@H](C)O[C@H]1CN1CCCC1
InChIInChI=1S/C14H25NO/c1-11(2)13-7-6-12(3)16-14(13)10-15-8-4-5-9-15/h12-14H,1,4-10H2,2-3H3/t12-,13-,14-/m0/s1
InChIKeyOESHVYGQGUCFKO-IHRRRGAJSA-N
XLogP2.84
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[[(2R,3S,6S)-6-methyl-3-prop-1-en-2-yloxan-2-yl]methyl]pyrrolidine 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

4-[(6-Methyl-3-prop-1-en-2-yloxan-2-yl)methyl]morpholine
CID 3129768
6-Methyl-4-methylidene-2,3,4a,5,7,7a-hexahydropyrano[2,3-c]pyrrole
CID 163984751
1-[[(2R,3S,6S)-6-methyl-3-prop-1-en-2-yloxan-2-yl]methyl]piperidine
CID 793972
1-[[(2S,3S,6S)-6-methyl-3-prop-1-en-2-yloxan-2-yl]methyl]pyrrolidine
CID 904941
4-[[(2R,3S,6S)-6-methyl-3-prop-1-en-2-yloxan-2-yl]methyl]morpholine
CID 914319
1-[[(2S,3R,6S)-6-methyl-3-prop-1-en-2-yloxan-2-yl]methyl]pyrrolidine
CID 1426488
1-[[(2S,3R,6R)-6-methyl-3-prop-1-en-2-yloxan-2-yl]methyl]piperidine
CID 1883587
4-[[(2S,3R,6R)-6-methyl-3-prop-1-en-2-yloxan-2-yl]methyl]morpholine
CID 1893590
1-[(6-Methyl-3-prop-1-en-2-yloxan-2-yl)methyl]piperidine
CID 2859108
1-[(6-Methyl-3-prop-1-en-2-yloxan-2-yl)methyl]pyrrolidine
CID 3327518
1-[[(2S,3S,6R)-6-methyl-3-prop-1-en-2-yloxan-2-yl]methyl]piperidine
CID 6543249
1-[[(2S,3S,6R)-6-methyl-3-prop-1-en-2-yloxan-2-yl]methyl]pyrrolidine
CID 6545168

Frequently Asked Questions

What is the IUPAC name of 1-[[(2R,3S,6S)-6-methyl-3-prop-1-en-2-yloxan-2-yl]methyl]pyrrolidine?
The IUPAC name of 1-[[(2R,3S,6S)-6-methyl-3-prop-1-en-2-yloxan-2-yl]methyl]pyrrolidine (CID 7078986) is 1-[[(2R,3S,6S)-6-methyl-3-prop-1-en-2-yloxan-2-yl]methyl]pyrrolidine.
What is the SMILES notation for 1-[[(2R,3S,6S)-6-methyl-3-prop-1-en-2-yloxan-2-yl]methyl]pyrrolidine?
The canonical SMILES for 1-[[(2R,3S,6S)-6-methyl-3-prop-1-en-2-yloxan-2-yl]methyl]pyrrolidine is C=C(C)[C@@H]1CC[C@H](C)O[C@H]1CN1CCCC1.
What is the InChIKey of 1-[[(2R,3S,6S)-6-methyl-3-prop-1-en-2-yloxan-2-yl]methyl]pyrrolidine?
The InChIKey is OESHVYGQGUCFKO-IHRRRGAJSA-N. The full InChI is InChI=1S/C14H25NO/c1-11(2)13-7-6-12(3)16-14(13)10-15-8-4-5-9-15/h12-14H,1,4-10H2,2-3H3/t12-,13-,14-/m0/s1.
What are the key properties of 1-[[(2R,3S,6S)-6-methyl-3-prop-1-en-2-yloxan-2-yl]methyl]pyrrolidine?
1-[[(2R,3S,6S)-6-methyl-3-prop-1-en-2-yloxan-2-yl]methyl]pyrrolidine has a molecular weight of 223.36 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R,3S,6S)-6-methyl-3-prop-1-en-2-yloxan-2-yl]methyl]pyrrolidine is sourced from PubChem (CID 7078986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).