N-[(1S,3S,5R)-1,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]formamide

C11H19NO — CID 143170351

IUPACN-[(1S,3S,5R)-1,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]formamide
SMILESCC1(C)[C@H]2C[C@H](NC=O)C[C@]1(C)C2
InChIInChI=1S/C11H19NO/c1-10(2)8-4-9(12-7-13)6-11(10,3)5-8/h7-9H,4-6H2,1-3H3,(H,12,13)/t8-,9-,11-/m0/s1
InChIKeyIBXDFJSABZHACG-QXEWZRGKSA-N
MW181.28 g/mol
LogP1.95
Rot. Bonds2

About N-[(1S,3S,5R)-1,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]formamide

N-[(1S,3S,5R)-1,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]formamide (PubChem CID 143170351) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N-[(1S,3S,5R)-1,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]formamide.

Molecular Properties

Compound NameN-[(1S,3S,5R)-1,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]formamide
PubChem CID143170351
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN-[(1S,3S,5R)-1,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]formamide
SMILESCC1(C)[C@H]2C[C@H](NC=O)C[C@]1(C)C2
InChIInChI=1S/C11H19NO/c1-10(2)8-4-9(12-7-13)6-11(10,3)5-8/h7-9H,4-6H2,1-3H3,(H,12,13)/t8-,9-,11-/m0/s1
InChIKeyIBXDFJSABZHACG-QXEWZRGKSA-N
XLogP1.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,3S,5R)-1,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]formamide?
The IUPAC name of N-[(1S,3S,5R)-1,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]formamide (CID 143170351) is N-[(1S,3S,5R)-1,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]formamide.
What is the SMILES notation for N-[(1S,3S,5R)-1,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]formamide?
The canonical SMILES for N-[(1S,3S,5R)-1,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]formamide is CC1(C)[C@H]2C[C@H](NC=O)C[C@]1(C)C2.
What is the InChIKey of N-[(1S,3S,5R)-1,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]formamide?
The InChIKey is IBXDFJSABZHACG-QXEWZRGKSA-N. The full InChI is InChI=1S/C11H19NO/c1-10(2)8-4-9(12-7-13)6-11(10,3)5-8/h7-9H,4-6H2,1-3H3,(H,12,13)/t8-,9-,11-/m0/s1.
What are the key properties of N-[(1S,3S,5R)-1,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]formamide?
N-[(1S,3S,5R)-1,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]formamide has a molecular weight of 181.28 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3S,5R)-1,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]formamide is sourced from PubChem (CID 143170351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).