(2S)-1-(cyclohepten-1-yl)-2-(methoxymethyl)pyrrolidine

C13H23NO — CID 15727189

IUPAC(2S)-1-(cyclohepten-1-yl)-2-(methoxymethyl)pyrrolidine
SMILESCOC[C@@H]1CCCN1C1=CCCCCC1
InChIInChI=1S/C13H23NO/c1-15-11-13-9-6-10-14(13)12-7-4-2-3-5-8-12/h7,13H,2-6,8-11H2,1H3/t13-/m0/s1
InChIKeyACPSAMIWFHWNJE-ZDUSSCGKSA-N
MW209.33 g/mol
LogP2.95
Rot. Bonds3

About (2S)-1-(cyclohepten-1-yl)-2-(methoxymethyl)pyrrolidine

(2S)-1-(cyclohepten-1-yl)-2-(methoxymethyl)pyrrolidine (PubChem CID 15727189) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is (2S)-1-(cyclohepten-1-yl)-2-(methoxymethyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-1-(cyclohepten-1-yl)-2-(methoxymethyl)pyrrolidine
PubChem CID15727189
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name(2S)-1-(cyclohepten-1-yl)-2-(methoxymethyl)pyrrolidine
SMILESCOC[C@@H]1CCCN1C1=CCCCCC1
InChIInChI=1S/C13H23NO/c1-15-11-13-9-6-10-14(13)12-7-4-2-3-5-8-12/h7,13H,2-6,8-11H2,1H3/t13-/m0/s1
InChIKeyACPSAMIWFHWNJE-ZDUSSCGKSA-N
XLogP2.95
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.95
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
(2E)-2-ethylidene-1-(3-fluoropropyl)-5-(methoxymethyl)pyrrolidine
CID 166984253
tributyl-[(E)-4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]hex-3-en-2-yl]stannane
CID 10907053
Tributyl-[3-[2-(methoxymethyl)pyrrolidin-1-yl]cyclohex-2-en-1-yl]stannane
CID 14250108
Tributyl-[3-[2-(methoxymethyl)pyrrolidin-1-yl]cyclopent-2-en-1-yl]stannane
CID 14250116
tributyl-[(E)-4-[2-(methoxymethyl)pyrrolidin-1-yl]hex-3-en-2-yl]stannane
CID 14250123
(2S)-2-(methoxymethyl)-1-[(E)-pent-2-en-3-yl]pyrrolidine
CID 15372847
(2S)-1-[1-(cyclohexen-1-yl)ethenyl]-2-(methoxymethyl)pyrrolidine
CID 135085876
Hipzjvzlcdaihx-qpjjxvbhsa-
CID 13464679
1-(Cyclohexen-1-yl)-2-(methoxymethyl)pyrrolidine
CID 12810028
(2S)-2-(methoxymethyl)-1-methyl-5-methylidenepyrrolidine
CID 89289161

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(cyclohepten-1-yl)-2-(methoxymethyl)pyrrolidine?
The IUPAC name of (2S)-1-(cyclohepten-1-yl)-2-(methoxymethyl)pyrrolidine (CID 15727189) is (2S)-1-(cyclohepten-1-yl)-2-(methoxymethyl)pyrrolidine.
What is the SMILES notation for (2S)-1-(cyclohepten-1-yl)-2-(methoxymethyl)pyrrolidine?
The canonical SMILES for (2S)-1-(cyclohepten-1-yl)-2-(methoxymethyl)pyrrolidine is COC[C@@H]1CCCN1C1=CCCCCC1.
What is the InChIKey of (2S)-1-(cyclohepten-1-yl)-2-(methoxymethyl)pyrrolidine?
The InChIKey is ACPSAMIWFHWNJE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H23NO/c1-15-11-13-9-6-10-14(13)12-7-4-2-3-5-8-12/h7,13H,2-6,8-11H2,1H3/t13-/m0/s1.
What are the key properties of (2S)-1-(cyclohepten-1-yl)-2-(methoxymethyl)pyrrolidine?
(2S)-1-(cyclohepten-1-yl)-2-(methoxymethyl)pyrrolidine has a molecular weight of 209.33 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(cyclohepten-1-yl)-2-(methoxymethyl)pyrrolidine is sourced from PubChem (CID 15727189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).