(2S)-1-[1-(cyclohexen-1-yl)ethenyl]-2-(methoxymethyl)pyrrolidine

C14H23NO — CID 135085876

IUPAC(2S)-1-[1-(cyclohexen-1-yl)ethenyl]-2-(methoxymethyl)pyrrolidine
SMILESC=C(C1=CCCCC1)N1CCC[C@H]1COC
InChIInChI=1S/C14H23NO/c1-12(13-7-4-3-5-8-13)15-10-6-9-14(15)11-16-2/h7,14H,1,3-6,8-11H2,2H3/t14-/m0/s1
InChIKeyPEUCVDBAAGJZQT-AWEZNQCLSA-N
MW221.34 g/mol
LogP3.11
Rot. Bonds4

About (2S)-1-[1-(cyclohexen-1-yl)ethenyl]-2-(methoxymethyl)pyrrolidine

(2S)-1-[1-(cyclohexen-1-yl)ethenyl]-2-(methoxymethyl)pyrrolidine (PubChem CID 135085876) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is (2S)-1-[1-(cyclohexen-1-yl)ethenyl]-2-(methoxymethyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-1-[1-(cyclohexen-1-yl)ethenyl]-2-(methoxymethyl)pyrrolidine
PubChem CID135085876
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name(2S)-1-[1-(cyclohexen-1-yl)ethenyl]-2-(methoxymethyl)pyrrolidine
SMILESC=C(C1=CCCCC1)N1CCC[C@H]1COC
InChIInChI=1S/C14H23NO/c1-12(13-7-4-3-5-8-13)15-10-6-9-14(15)11-16-2/h7,14H,1,3-6,8-11H2,2H3/t14-/m0/s1
InChIKeyPEUCVDBAAGJZQT-AWEZNQCLSA-N
XLogP3.11
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-(cyclohexen-1-yl)-2-(methoxymethyl)pyrrolidine
CID 11019768
(2R)-1-(cyclohexen-1-yl)-2-(methoxymethyl)pyrrolidine
CID 12810029
(2S)-2-(methoxymethyl)-1-(3-methylbuta-1,3-dien-2-yl)pyrrolidine
CID 11745254
Tributyl-[3-[2-(methoxymethyl)pyrrolidin-1-yl]cyclohex-2-en-1-yl]stannane
CID 14250108
(2S)-2-(methoxymethyl)-1-[(E)-pent-2-en-3-yl]pyrrolidine
CID 15372847
(2S)-1-(cyclohepten-1-yl)-2-(methoxymethyl)pyrrolidine
CID 15727189
1-(Cyclohexen-1-yl)-2-(methoxymethyl)pyrrolidine
CID 12810028
(2S)-1-(cyclohexa-2,4-dien-1-ylmethyl)-2-(methoxymethyl)pyrrolidine
CID 143093350
(2S)-2-(methoxymethyl)-1-[(4-methylcyclohex-3-en-1-yl)methyl]pyrrolidine
CID 145523024
(3Z)-N,5-dimethyl-N-(oxolan-2-ylmethyl)hexa-1,3,5-trien-2-amine
CID 153334062
2-(methoxymethyl)-1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]pyrrolidine
CID 153334066
CID 168880910
CID 168880910

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[1-(cyclohexen-1-yl)ethenyl]-2-(methoxymethyl)pyrrolidine?
The IUPAC name of (2S)-1-[1-(cyclohexen-1-yl)ethenyl]-2-(methoxymethyl)pyrrolidine (CID 135085876) is (2S)-1-[1-(cyclohexen-1-yl)ethenyl]-2-(methoxymethyl)pyrrolidine.
What is the SMILES notation for (2S)-1-[1-(cyclohexen-1-yl)ethenyl]-2-(methoxymethyl)pyrrolidine?
The canonical SMILES for (2S)-1-[1-(cyclohexen-1-yl)ethenyl]-2-(methoxymethyl)pyrrolidine is C=C(C1=CCCCC1)N1CCC[C@H]1COC.
What is the InChIKey of (2S)-1-[1-(cyclohexen-1-yl)ethenyl]-2-(methoxymethyl)pyrrolidine?
The InChIKey is PEUCVDBAAGJZQT-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H23NO/c1-12(13-7-4-3-5-8-13)15-10-6-9-14(15)11-16-2/h7,14H,1,3-6,8-11H2,2H3/t14-/m0/s1.
What are the key properties of (2S)-1-[1-(cyclohexen-1-yl)ethenyl]-2-(methoxymethyl)pyrrolidine?
(2S)-1-[1-(cyclohexen-1-yl)ethenyl]-2-(methoxymethyl)pyrrolidine has a molecular weight of 221.34 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[1-(cyclohexen-1-yl)ethenyl]-2-(methoxymethyl)pyrrolidine is sourced from PubChem (CID 135085876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).