2-propan-2-yl-1-undeca-1,2,3,4,5,6,7,8,9,10-decaenylpyrrolidine

C18H16N- — CID 23523775

IUPAC2-propan-2-yl-1-undeca-1,2,3,4,5,6,7,8,9,10-decaenylpyrrolidine
SMILES[CH-]=C=C=C=C=C=C=C=C=C=CN1CCCC1C(C)C
InChIInChI=1S/C18H16N/c1-4-5-6-7-8-9-10-11-12-15-19-16-13-14-18(19)17(2)3/h1,15,17-18H,13-14,16H2,2-3H3/q-1
InChIKeyMDISYUWKBRNHLZ-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.45
Rot. Bonds2

About 2-propan-2-yl-1-undeca-1,2,3,4,5,6,7,8,9,10-decaenylpyrrolidine

2-propan-2-yl-1-undeca-1,2,3,4,5,6,7,8,9,10-decaenylpyrrolidine (PubChem CID 23523775) has the molecular formula C18H16N- and a molecular weight of 246.33 g/mol. Its IUPAC name is 2-propan-2-yl-1-undeca-1,2,3,4,5,6,7,8,9,10-decaenylpyrrolidine.

Molecular Properties

Compound Name2-propan-2-yl-1-undeca-1,2,3,4,5,6,7,8,9,10-decaenylpyrrolidine
PubChem CID23523775
Molecular FormulaC18H16N-
Molecular Weight246.33 g/mol
Exact Mass246.13
IUPAC Name2-propan-2-yl-1-undeca-1,2,3,4,5,6,7,8,9,10-decaenylpyrrolidine
SMILES[CH-]=C=C=C=C=C=C=C=C=C=CN1CCCC1C(C)C
InChIInChI=1S/C18H16N/c1-4-5-6-7-8-9-10-11-12-15-19-16-13-14-18(19)17(2)3/h1,15,17-18H,13-14,16H2,2-3H3/q-1
InChIKeyMDISYUWKBRNHLZ-UHFFFAOYSA-N
XLogP3.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1-undeca-1,2,3,4,5,6,7,8,9,10-decaenylpyrrolidine?
The IUPAC name of 2-propan-2-yl-1-undeca-1,2,3,4,5,6,7,8,9,10-decaenylpyrrolidine (CID 23523775) is 2-propan-2-yl-1-undeca-1,2,3,4,5,6,7,8,9,10-decaenylpyrrolidine.
What is the SMILES notation for 2-propan-2-yl-1-undeca-1,2,3,4,5,6,7,8,9,10-decaenylpyrrolidine?
The canonical SMILES for 2-propan-2-yl-1-undeca-1,2,3,4,5,6,7,8,9,10-decaenylpyrrolidine is [CH-]=C=C=C=C=C=C=C=C=C=CN1CCCC1C(C)C.
What is the InChIKey of 2-propan-2-yl-1-undeca-1,2,3,4,5,6,7,8,9,10-decaenylpyrrolidine?
The InChIKey is MDISYUWKBRNHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N/c1-4-5-6-7-8-9-10-11-12-15-19-16-13-14-18(19)17(2)3/h1,15,17-18H,13-14,16H2,2-3H3/q-1.
What are the key properties of 2-propan-2-yl-1-undeca-1,2,3,4,5,6,7,8,9,10-decaenylpyrrolidine?
2-propan-2-yl-1-undeca-1,2,3,4,5,6,7,8,9,10-decaenylpyrrolidine has a molecular weight of 246.33 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1-undeca-1,2,3,4,5,6,7,8,9,10-decaenylpyrrolidine is sourced from PubChem (CID 23523775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).