3,3-dimethyl-2-methylidene-N-propan-2-ylbicyclo[2.2.1]heptane-1-carboxamide

C14H23NO — CID 4861760

IUPAC3,3-dimethyl-2-methylidene-N-propan-2-ylbicyclo[2.2.1]heptane-1-carboxamide
SMILESC=C1C2(C(=O)NC(C)C)CCC(C2)C1(C)C
InChIInChI=1S/C14H23NO/c1-9(2)15-12(16)14-7-6-11(8-14)13(4,5)10(14)3/h9,11H,3,6-8H2,1-2,4-5H3,(H,15,16)
InChIKeyONULJJDNMRYVDX-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.89
Rot. Bonds2

About 3,3-dimethyl-2-methylidene-N-propan-2-ylbicyclo[2.2.1]heptane-1-carboxamide

3,3-dimethyl-2-methylidene-N-propan-2-ylbicyclo[2.2.1]heptane-1-carboxamide (PubChem CID 4861760) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 3,3-dimethyl-2-methylidene-N-propan-2-ylbicyclo[2.2.1]heptane-1-carboxamide.

Molecular Properties

Compound Name3,3-dimethyl-2-methylidene-N-propan-2-ylbicyclo[2.2.1]heptane-1-carboxamide
PubChem CID4861760
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name3,3-dimethyl-2-methylidene-N-propan-2-ylbicyclo[2.2.1]heptane-1-carboxamide
SMILESC=C1C2(C(=O)NC(C)C)CCC(C2)C1(C)C
InChIInChI=1S/C14H23NO/c1-9(2)15-12(16)14-7-6-11(8-14)13(4,5)10(14)3/h9,11H,3,6-8H2,1-2,4-5H3,(H,15,16)
InChIKeyONULJJDNMRYVDX-UHFFFAOYSA-N
XLogP2.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-methylidene-N-propan-2-ylbicyclo[2.2.1]heptane-1-carboxamide?
The IUPAC name of 3,3-dimethyl-2-methylidene-N-propan-2-ylbicyclo[2.2.1]heptane-1-carboxamide (CID 4861760) is 3,3-dimethyl-2-methylidene-N-propan-2-ylbicyclo[2.2.1]heptane-1-carboxamide.
What is the SMILES notation for 3,3-dimethyl-2-methylidene-N-propan-2-ylbicyclo[2.2.1]heptane-1-carboxamide?
The canonical SMILES for 3,3-dimethyl-2-methylidene-N-propan-2-ylbicyclo[2.2.1]heptane-1-carboxamide is C=C1C2(C(=O)NC(C)C)CCC(C2)C1(C)C.
What is the InChIKey of 3,3-dimethyl-2-methylidene-N-propan-2-ylbicyclo[2.2.1]heptane-1-carboxamide?
The InChIKey is ONULJJDNMRYVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-9(2)15-12(16)14-7-6-11(8-14)13(4,5)10(14)3/h9,11H,3,6-8H2,1-2,4-5H3,(H,15,16).
What are the key properties of 3,3-dimethyl-2-methylidene-N-propan-2-ylbicyclo[2.2.1]heptane-1-carboxamide?
3,3-dimethyl-2-methylidene-N-propan-2-ylbicyclo[2.2.1]heptane-1-carboxamide has a molecular weight of 221.34 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-methylidene-N-propan-2-ylbicyclo[2.2.1]heptane-1-carboxamide is sourced from PubChem (CID 4861760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).