1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;formamide;methane

C11H24N2O — CID 143297123

IUPAC1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;formamide;methane
SMILESC.C1CCC2CNCCC2C1.NC=O
InChIInChI=1S/C9H17N.CH3NO.CH4/c1-2-4-9-7-10-6-5-8(9)3-1;2-1-3;/h8-10H,1-7H2;1H,(H2,2,3);1H4
InChIKeyUCISKVGGBOVPSL-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.52
Rot. Bonds

About 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;formamide;methane

1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;formamide;methane (PubChem CID 143297123) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;formamide;methane.

Molecular Properties

Compound Name1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;formamide;methane
PubChem CID143297123
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;formamide;methane
SMILESC.C1CCC2CNCCC2C1.NC=O
InChIInChI=1S/C9H17N.CH3NO.CH4/c1-2-4-9-7-10-6-5-8(9)3-1;2-1-3;/h8-10H,1-7H2;1H,(H2,2,3);1H4
InChIKeyUCISKVGGBOVPSL-UHFFFAOYSA-N
XLogP1.52
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;formamide;methane?
The IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;formamide;methane (CID 143297123) is 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;formamide;methane.
What is the SMILES notation for 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;formamide;methane?
The canonical SMILES for 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;formamide;methane is C.C1CCC2CNCCC2C1.NC=O.
What is the InChIKey of 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;formamide;methane?
The InChIKey is UCISKVGGBOVPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N.CH3NO.CH4/c1-2-4-9-7-10-6-5-8(9)3-1;2-1-3;/h8-10H,1-7H2;1H,(H2,2,3);1H4.
What are the key properties of 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;formamide;methane?
1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;formamide;methane has a molecular weight of 200.33 g/mol, XLogP of 1.52, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;formamide;methane is sourced from PubChem (CID 143297123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).