1-cyclohexyl-3-(deuteriomethyl)-4-methylidenepyrrolidine

C12H21N — CID 15310477

IUPAC1-cyclohexyl-3-(deuteriomethyl)-4-methylidenepyrrolidine
SMILES[2H]CC1CN(C2CCCCC2)CC1=C
InChIInChI=1S/C12H21N/c1-10-8-13(9-11(10)2)12-6-4-3-5-7-12/h11-12H,1,3-9H2,2H3/i2D
InChIKeyBISDWPOMLILTQT-VMNATFBRSA-N
MW180.31 g/mol
LogP2.83
Rot. Bonds2

About 1-cyclohexyl-3-(deuteriomethyl)-4-methylidenepyrrolidine

1-cyclohexyl-3-(deuteriomethyl)-4-methylidenepyrrolidine (PubChem CID 15310477) has the molecular formula C12H21N and a molecular weight of 180.31 g/mol. Its IUPAC name is 1-cyclohexyl-3-(deuteriomethyl)-4-methylidenepyrrolidine.

Molecular Properties

Compound Name1-cyclohexyl-3-(deuteriomethyl)-4-methylidenepyrrolidine
PubChem CID15310477
Molecular FormulaC12H21N
Molecular Weight180.31 g/mol
Exact Mass180.17
IUPAC Name1-cyclohexyl-3-(deuteriomethyl)-4-methylidenepyrrolidine
SMILES[2H]CC1CN(C2CCCCC2)CC1=C
InChIInChI=1S/C12H21N/c1-10-8-13(9-11(10)2)12-6-4-3-5-7-12/h11-12H,1,3-9H2,2H3/i2D
InChIKeyBISDWPOMLILTQT-VMNATFBRSA-N
XLogP2.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.31
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(deuteriomethyl)-4-methylidenepyrrolidine?
The IUPAC name of 1-cyclohexyl-3-(deuteriomethyl)-4-methylidenepyrrolidine (CID 15310477) is 1-cyclohexyl-3-(deuteriomethyl)-4-methylidenepyrrolidine.
What is the SMILES notation for 1-cyclohexyl-3-(deuteriomethyl)-4-methylidenepyrrolidine?
The canonical SMILES for 1-cyclohexyl-3-(deuteriomethyl)-4-methylidenepyrrolidine is [2H]CC1CN(C2CCCCC2)CC1=C.
What is the InChIKey of 1-cyclohexyl-3-(deuteriomethyl)-4-methylidenepyrrolidine?
The InChIKey is BISDWPOMLILTQT-VMNATFBRSA-N. The full InChI is InChI=1S/C12H21N/c1-10-8-13(9-11(10)2)12-6-4-3-5-7-12/h11-12H,1,3-9H2,2H3/i2D.
What are the key properties of 1-cyclohexyl-3-(deuteriomethyl)-4-methylidenepyrrolidine?
1-cyclohexyl-3-(deuteriomethyl)-4-methylidenepyrrolidine has a molecular weight of 180.31 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(deuteriomethyl)-4-methylidenepyrrolidine is sourced from PubChem (CID 15310477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).