(3E)-N-(furan-2-ylmethyl)-3-hydroxyimino-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxamide

C16H22N2O3 — CID 18830181

IUPAC(3E)-N-(furan-2-ylmethyl)-3-hydroxyimino-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxamide
SMILESCC12CCC(C(=O)NCc3ccco3)(C/C1=N\O)C2(C)C
InChIInChI=1S/C16H22N2O3/c1-14(2)15(3)6-7-16(14,9-12(15)18-20)13(19)17-10-11-5-4-8-21-11/h4-5,8,20H,6-7,9-10H2,1-3H3,(H,17,19)/b18-12+
InChIKeySZWQWSMHERBNKV-LDADJPATSA-N
MW290.36 g/mol
LogP2.94
Rot. Bonds3

About (3E)-N-(furan-2-ylmethyl)-3-hydroxyimino-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxamide

(3E)-N-(furan-2-ylmethyl)-3-hydroxyimino-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxamide (PubChem CID 18830181) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is (3E)-N-(furan-2-ylmethyl)-3-hydroxyimino-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxamide.

Molecular Properties

Compound Name(3E)-N-(furan-2-ylmethyl)-3-hydroxyimino-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxamide
PubChem CID18830181
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name(3E)-N-(furan-2-ylmethyl)-3-hydroxyimino-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxamide
SMILESCC12CCC(C(=O)NCc3ccco3)(C/C1=N\O)C2(C)C
InChIInChI=1S/C16H22N2O3/c1-14(2)15(3)6-7-16(14,9-12(15)18-20)13(19)17-10-11-5-4-8-21-11/h4-5,8,20H,6-7,9-10H2,1-3H3,(H,17,19)/b18-12+
InChIKeySZWQWSMHERBNKV-LDADJPATSA-N
XLogP2.94
TPSA74.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1S,3Z,4S)-3-hydroxyimino-4,7,7-trimethyl-N-phenylbicyclo[2.2.1]heptane-1-carboxamide
CID 98145922
(1R,4S)-N-(furan-2-ylmethyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide
CID 802531
1-amino-N-(furan-2-ylmethyl)cyclopentane-1-carboxamide
CID 60866496
sodium (3E)-3-hydroxyimino-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylate
CID 23664089
N-(furan-2-ylmethyl)acetamide
CID 2394850
N-(furan-2-ylmethyl)-2-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]cyclopentyl]acetamide
CID 134025362
1-(furan-2-ylmethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 62097630
(2R,3R,6S)-6-(furan-2-ylmethylcarbamoyl)-1,1,2-trimethylspiro[2.3]hexane-2-carboxylic acid
CID 11871437
4,7,7-trimethyl-N-[(4-methylphenyl)methyl]-3-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 2984501
N-(furan-2-ylmethyl)-1-[(Z)-N'-hydroxycarbamimidoyl]-3-methylcyclobutane-1-carboxamide
CID 80591421
1-N,2-N-bis(furan-2-ylmethyl)-3-methylidenecyclopropane-1,2-dicarboxamide
CID 5237325
N'-(furan-2-ylmethyl)-N-[(4-methylphenyl)methyl]oxamide
CID 2188176

Frequently Asked Questions

What is the IUPAC name of (3E)-N-(furan-2-ylmethyl)-3-hydroxyimino-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxamide?
The IUPAC name of (3E)-N-(furan-2-ylmethyl)-3-hydroxyimino-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxamide (CID 18830181) is (3E)-N-(furan-2-ylmethyl)-3-hydroxyimino-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxamide.
What is the SMILES notation for (3E)-N-(furan-2-ylmethyl)-3-hydroxyimino-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxamide?
The canonical SMILES for (3E)-N-(furan-2-ylmethyl)-3-hydroxyimino-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxamide is CC12CCC(C(=O)NCc3ccco3)(C/C1=N\O)C2(C)C.
What is the InChIKey of (3E)-N-(furan-2-ylmethyl)-3-hydroxyimino-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxamide?
The InChIKey is SZWQWSMHERBNKV-LDADJPATSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-14(2)15(3)6-7-16(14,9-12(15)18-20)13(19)17-10-11-5-4-8-21-11/h4-5,8,20H,6-7,9-10H2,1-3H3,(H,17,19)/b18-12+.
What are the key properties of (3E)-N-(furan-2-ylmethyl)-3-hydroxyimino-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxamide?
(3E)-N-(furan-2-ylmethyl)-3-hydroxyimino-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N-(furan-2-ylmethyl)-3-hydroxyimino-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxamide is sourced from PubChem (CID 18830181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).