1-(6-methoxycyclohexa-1,5-dien-1-yl)-2-methylidenepyrrolidine

C12H17NO — CID 130420880

IUPAC1-(6-methoxycyclohexa-1,5-dien-1-yl)-2-methylidenepyrrolidine
SMILESC=C1CCCN1C1=CCCC=C1OC
InChIInChI=1S/C12H17NO/c1-10-6-5-9-13(10)11-7-3-4-8-12(11)14-2/h7-8H,1,3-6,9H2,2H3
InChIKeyLCGJZBTZHFVRJE-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.80
Rot. Bonds2

About 1-(6-methoxycyclohexa-1,5-dien-1-yl)-2-methylidenepyrrolidine

1-(6-methoxycyclohexa-1,5-dien-1-yl)-2-methylidenepyrrolidine (PubChem CID 130420880) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 1-(6-methoxycyclohexa-1,5-dien-1-yl)-2-methylidenepyrrolidine.

Molecular Properties

Compound Name1-(6-methoxycyclohexa-1,5-dien-1-yl)-2-methylidenepyrrolidine
PubChem CID130420880
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name1-(6-methoxycyclohexa-1,5-dien-1-yl)-2-methylidenepyrrolidine
SMILESC=C1CCCN1C1=CCCC=C1OC
InChIInChI=1S/C12H17NO/c1-10-6-5-9-13(10)11-7-3-4-8-12(11)14-2/h7-8H,1,3-6,9H2,2H3
InChIKeyLCGJZBTZHFVRJE-UHFFFAOYSA-N
XLogP2.80
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxycyclohexa-1,5-dien-1-yl)-2-methylidenepyrrolidine?
The IUPAC name of 1-(6-methoxycyclohexa-1,5-dien-1-yl)-2-methylidenepyrrolidine (CID 130420880) is 1-(6-methoxycyclohexa-1,5-dien-1-yl)-2-methylidenepyrrolidine.
What is the SMILES notation for 1-(6-methoxycyclohexa-1,5-dien-1-yl)-2-methylidenepyrrolidine?
The canonical SMILES for 1-(6-methoxycyclohexa-1,5-dien-1-yl)-2-methylidenepyrrolidine is C=C1CCCN1C1=CCCC=C1OC.
What is the InChIKey of 1-(6-methoxycyclohexa-1,5-dien-1-yl)-2-methylidenepyrrolidine?
The InChIKey is LCGJZBTZHFVRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-10-6-5-9-13(10)11-7-3-4-8-12(11)14-2/h7-8H,1,3-6,9H2,2H3.
What are the key properties of 1-(6-methoxycyclohexa-1,5-dien-1-yl)-2-methylidenepyrrolidine?
1-(6-methoxycyclohexa-1,5-dien-1-yl)-2-methylidenepyrrolidine has a molecular weight of 191.27 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxycyclohexa-1,5-dien-1-yl)-2-methylidenepyrrolidine is sourced from PubChem (CID 130420880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).