(4E)-N-tert-butylbicyclo[6.1.0]non-4-ene-9-carboxamide

C14H23NO — CID 134331533

IUPAC(4E)-N-tert-butylbicyclo[6.1.0]non-4-ene-9-carboxamide
SMILESCC(C)(C)NC(=O)C1C2CC/C=C\CCC21
InChIInChI=1S/C14H23NO/c1-14(2,3)15-13(16)12-10-8-6-4-5-7-9-11(10)12/h4-5,10-12H,6-9H2,1-3H3,(H,15,16)/b5-4-
InChIKeySTNARXSTJUSMGK-PLNGDYQASA-N
MW221.34 g/mol
LogP2.89
Rot. Bonds1

About (4E)-N-tert-butylbicyclo[6.1.0]non-4-ene-9-carboxamide

(4E)-N-tert-butylbicyclo[6.1.0]non-4-ene-9-carboxamide (PubChem CID 134331533) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is (4E)-N-tert-butylbicyclo[6.1.0]non-4-ene-9-carboxamide.

Molecular Properties

Compound Name(4E)-N-tert-butylbicyclo[6.1.0]non-4-ene-9-carboxamide
PubChem CID134331533
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name(4E)-N-tert-butylbicyclo[6.1.0]non-4-ene-9-carboxamide
SMILESCC(C)(C)NC(=O)C1C2CC/C=C\CCC21
InChIInChI=1S/C14H23NO/c1-14(2,3)15-13(16)12-10-8-6-4-5-7-9-11(10)12/h4-5,10-12H,6-9H2,1-3H3,(H,15,16)/b5-4-
InChIKeySTNARXSTJUSMGK-PLNGDYQASA-N
XLogP2.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
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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Related Compounds

(1R,6S)-N-tert-butylbicyclo[4.1.0]heptane-7-carboxamide
CID 758027
(4E)-N-ethylbicyclo[6.1.0]non-4-ene-9-carboxamide
CID 89182498
(4E)-bicyclo[6.1.0]non-4-ene-9-carboxylic acid
CID 89147518
(1R,4R,5R,6R,9E,13S,14S)-tricyclo[11.1.0.04,6]tetradec-9-ene-5,14-dicarboxylic acid
CID 51412344
(4Z,8E)-bicyclo[10.1.0]trideca-4,8-diene-13-carboxylic acid
CID 5337761
(1R,8R)-N-cyclohexylbicyclo[6.1.0]non-4-ene-9-carboxamide
CID 814819
(1S,4Z,8E,12S)-N-(4-methylphenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
CID 7500029
N-(2-cyanopropan-2-yl)bicyclo[4.1.0]heptane-7-carboxamide
CID 79209192
N-(2-methylbut-3-yn-2-yl)bicyclo[3.1.0]hexane-6-carboxamide
CID 79795775
N-tert-butylcyclooctanecarboxamide
CID 65022804
(1R,4Z,8R)-N-(4-acetylphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 5392551
N-(4-acetylphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 556295

Frequently Asked Questions

What is the IUPAC name of (4E)-N-tert-butylbicyclo[6.1.0]non-4-ene-9-carboxamide?
The IUPAC name of (4E)-N-tert-butylbicyclo[6.1.0]non-4-ene-9-carboxamide (CID 134331533) is (4E)-N-tert-butylbicyclo[6.1.0]non-4-ene-9-carboxamide.
What is the SMILES notation for (4E)-N-tert-butylbicyclo[6.1.0]non-4-ene-9-carboxamide?
The canonical SMILES for (4E)-N-tert-butylbicyclo[6.1.0]non-4-ene-9-carboxamide is CC(C)(C)NC(=O)C1C2CC/C=C\CCC21.
What is the InChIKey of (4E)-N-tert-butylbicyclo[6.1.0]non-4-ene-9-carboxamide?
The InChIKey is STNARXSTJUSMGK-PLNGDYQASA-N. The full InChI is InChI=1S/C14H23NO/c1-14(2,3)15-13(16)12-10-8-6-4-5-7-9-11(10)12/h4-5,10-12H,6-9H2,1-3H3,(H,15,16)/b5-4-.
What are the key properties of (4E)-N-tert-butylbicyclo[6.1.0]non-4-ene-9-carboxamide?
(4E)-N-tert-butylbicyclo[6.1.0]non-4-ene-9-carboxamide has a molecular weight of 221.34 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-N-tert-butylbicyclo[6.1.0]non-4-ene-9-carboxamide is sourced from PubChem (CID 134331533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).