1-(1-amino-3-tricyclo[5.3.0.03,9]decanyl)pyrrolidin-2-one

C14H22N2O — CID 70313785

IUPAC1-(1-amino-3-tricyclo[5.3.0.03,9]decanyl)pyrrolidin-2-one
SMILESNC12CC3CC1CCCC3(N1CCCC1=O)C2
InChIInChI=1S/C14H22N2O/c15-13-8-11-7-10(13)3-1-5-14(11,9-13)16-6-2-4-12(16)17/h10-11H,1-9,15H2
InChIKeyMGOCTTIOQRZANB-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.66
Rot. Bonds1

About 1-(1-amino-3-tricyclo[5.3.0.03,9]decanyl)pyrrolidin-2-one

1-(1-amino-3-tricyclo[5.3.0.03,9]decanyl)pyrrolidin-2-one (PubChem CID 70313785) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(1-amino-3-tricyclo[5.3.0.03,9]decanyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(1-amino-3-tricyclo[5.3.0.03,9]decanyl)pyrrolidin-2-one
PubChem CID70313785
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-(1-amino-3-tricyclo[5.3.0.03,9]decanyl)pyrrolidin-2-one
SMILESNC12CC3CC1CCCC3(N1CCCC1=O)C2
InChIInChI=1S/C14H22N2O/c15-13-8-11-7-10(13)3-1-5-14(11,9-13)16-6-2-4-12(16)17/h10-11H,1-9,15H2
InChIKeyMGOCTTIOQRZANB-UHFFFAOYSA-N
XLogP1.66
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-3-tricyclo[5.3.0.03,9]decanyl)pyrrolidin-2-one?
The IUPAC name of 1-(1-amino-3-tricyclo[5.3.0.03,9]decanyl)pyrrolidin-2-one (CID 70313785) is 1-(1-amino-3-tricyclo[5.3.0.03,9]decanyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(1-amino-3-tricyclo[5.3.0.03,9]decanyl)pyrrolidin-2-one?
The canonical SMILES for 1-(1-amino-3-tricyclo[5.3.0.03,9]decanyl)pyrrolidin-2-one is NC12CC3CC1CCCC3(N1CCCC1=O)C2.
What is the InChIKey of 1-(1-amino-3-tricyclo[5.3.0.03,9]decanyl)pyrrolidin-2-one?
The InChIKey is MGOCTTIOQRZANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c15-13-8-11-7-10(13)3-1-5-14(11,9-13)16-6-2-4-12(16)17/h10-11H,1-9,15H2.
What are the key properties of 1-(1-amino-3-tricyclo[5.3.0.03,9]decanyl)pyrrolidin-2-one?
1-(1-amino-3-tricyclo[5.3.0.03,9]decanyl)pyrrolidin-2-one has a molecular weight of 234.34 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-3-tricyclo[5.3.0.03,9]decanyl)pyrrolidin-2-one is sourced from PubChem (CID 70313785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).