1-(5,5-dimethyl-3-methylidenecyclohexen-1-yl)pyrrolidine

C13H21N — CID 600706

IUPAC1-(5,5-dimethyl-3-methylidenecyclohexen-1-yl)pyrrolidine
SMILESC=C1C=C(N2CCCC2)CC(C)(C)C1
InChIInChI=1S/C13H21N/c1-11-8-12(10-13(2,3)9-11)14-6-4-5-7-14/h8H,1,4-7,9-10H2,2-3H3
InChIKeyGQNQNNSNNVKGEQ-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.34
Rot. Bonds1

About 1-(5,5-dimethyl-3-methylidenecyclohexen-1-yl)pyrrolidine

1-(5,5-dimethyl-3-methylidenecyclohexen-1-yl)pyrrolidine (PubChem CID 600706) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 1-(5,5-dimethyl-3-methylidenecyclohexen-1-yl)pyrrolidine.

Molecular Properties

Compound Name1-(5,5-dimethyl-3-methylidenecyclohexen-1-yl)pyrrolidine
PubChem CID600706
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name1-(5,5-dimethyl-3-methylidenecyclohexen-1-yl)pyrrolidine
SMILESC=C1C=C(N2CCCC2)CC(C)(C)C1
InChIInChI=1S/C13H21N/c1-11-8-12(10-13(2,3)9-11)14-6-4-5-7-14/h8H,1,4-7,9-10H2,2-3H3
InChIKeyGQNQNNSNNVKGEQ-UHFFFAOYSA-N
XLogP3.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(5,5-dimethyl-3-methylidenecyclohexen-1-yl)pyrrolidine?
The IUPAC name of 1-(5,5-dimethyl-3-methylidenecyclohexen-1-yl)pyrrolidine (CID 600706) is 1-(5,5-dimethyl-3-methylidenecyclohexen-1-yl)pyrrolidine.
What is the SMILES notation for 1-(5,5-dimethyl-3-methylidenecyclohexen-1-yl)pyrrolidine?
The canonical SMILES for 1-(5,5-dimethyl-3-methylidenecyclohexen-1-yl)pyrrolidine is C=C1C=C(N2CCCC2)CC(C)(C)C1.
What is the InChIKey of 1-(5,5-dimethyl-3-methylidenecyclohexen-1-yl)pyrrolidine?
The InChIKey is GQNQNNSNNVKGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-11-8-12(10-13(2,3)9-11)14-6-4-5-7-14/h8H,1,4-7,9-10H2,2-3H3.
What are the key properties of 1-(5,5-dimethyl-3-methylidenecyclohexen-1-yl)pyrrolidine?
1-(5,5-dimethyl-3-methylidenecyclohexen-1-yl)pyrrolidine has a molecular weight of 191.32 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-dimethyl-3-methylidenecyclohexen-1-yl)pyrrolidine is sourced from PubChem (CID 600706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).