1-(4-methyl-10-tricyclo[5.5.0.03,5]dodeca-1,6-dienyl)pyrrolidine

C17H25N — CID 143924652

IUPAC1-(4-methyl-10-tricyclo[5.5.0.03,5]dodeca-1,6-dienyl)pyrrolidine
SMILESCC1C2C=C3CCC(N4CCCC4)CCC3=CC12
InChIInChI=1S/C17H25N/c1-12-16-10-13-4-6-15(18-8-2-3-9-18)7-5-14(13)11-17(12)16/h10-12,15-17H,2-9H2,1H3
InChIKeyDQESCBVVQKDUDA-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.77
Rot. Bonds1

About 1-(4-methyl-10-tricyclo[5.5.0.03,5]dodeca-1,6-dienyl)pyrrolidine

1-(4-methyl-10-tricyclo[5.5.0.03,5]dodeca-1,6-dienyl)pyrrolidine (PubChem CID 143924652) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is 1-(4-methyl-10-tricyclo[5.5.0.03,5]dodeca-1,6-dienyl)pyrrolidine.

Molecular Properties

Compound Name1-(4-methyl-10-tricyclo[5.5.0.03,5]dodeca-1,6-dienyl)pyrrolidine
PubChem CID143924652
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name1-(4-methyl-10-tricyclo[5.5.0.03,5]dodeca-1,6-dienyl)pyrrolidine
SMILESCC1C2C=C3CCC(N4CCCC4)CCC3=CC12
InChIInChI=1S/C17H25N/c1-12-16-10-13-4-6-15(18-8-2-3-9-18)7-5-14(13)11-17(12)16/h10-12,15-17H,2-9H2,1H3
InChIKeyDQESCBVVQKDUDA-UHFFFAOYSA-N
XLogP3.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 10909573
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1-cyclooctylpyrrolidine
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1-cyclooctylpiperidine
CID 89210756
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CID 175247747
1-cyclohexylpiperidine;methane
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3-pyrrolidin-1-ylcyclopentan-1-one
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CID 175727151
CID 175727151
1-methanidyl-4-pyrrolidin-1-ylpiperidine
CID 20723224
1-[(1S)-4-(2-methylpropyl)cyclohex-3-en-1-yl]pyrrolidine
CID 139394865
1-methylsulfinyl-4-piperidin-1-ylpiperidine
CID 143249728

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-10-tricyclo[5.5.0.03,5]dodeca-1,6-dienyl)pyrrolidine?
The IUPAC name of 1-(4-methyl-10-tricyclo[5.5.0.03,5]dodeca-1,6-dienyl)pyrrolidine (CID 143924652) is 1-(4-methyl-10-tricyclo[5.5.0.03,5]dodeca-1,6-dienyl)pyrrolidine.
What is the SMILES notation for 1-(4-methyl-10-tricyclo[5.5.0.03,5]dodeca-1,6-dienyl)pyrrolidine?
The canonical SMILES for 1-(4-methyl-10-tricyclo[5.5.0.03,5]dodeca-1,6-dienyl)pyrrolidine is CC1C2C=C3CCC(N4CCCC4)CCC3=CC12.
What is the InChIKey of 1-(4-methyl-10-tricyclo[5.5.0.03,5]dodeca-1,6-dienyl)pyrrolidine?
The InChIKey is DQESCBVVQKDUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-12-16-10-13-4-6-15(18-8-2-3-9-18)7-5-14(13)11-17(12)16/h10-12,15-17H,2-9H2,1H3.
What are the key properties of 1-(4-methyl-10-tricyclo[5.5.0.03,5]dodeca-1,6-dienyl)pyrrolidine?
1-(4-methyl-10-tricyclo[5.5.0.03,5]dodeca-1,6-dienyl)pyrrolidine has a molecular weight of 243.39 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-10-tricyclo[5.5.0.03,5]dodeca-1,6-dienyl)pyrrolidine is sourced from PubChem (CID 143924652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).