[2-bicyclo[2.2.1]heptanyl-(5-chloro-1-benzofuran-2-yl)methyl]hydrazine

C16H19ClN2O — CID 105266606

IUPAC[2-bicyclo[2.2.1]heptanyl-(5-chloro-1-benzofuran-2-yl)methyl]hydrazine
SMILESNNC(c1cc2cc(Cl)ccc2o1)C1CC2CCC1C2
InChIInChI=1S/C16H19ClN2O/c17-12-3-4-14-11(7-12)8-15(20-14)16(19-18)13-6-9-1-2-10(13)5-9/h3-4,7-10,13,16,19H,1-2,5-6,18H2
InChIKeyRAKVPSNXWGIYTB-UHFFFAOYSA-N
MW290.79 g/mol
LogP4.03
Rot. Bonds3

About [2-bicyclo[2.2.1]heptanyl-(5-chloro-1-benzofuran-2-yl)methyl]hydrazine

[2-bicyclo[2.2.1]heptanyl-(5-chloro-1-benzofuran-2-yl)methyl]hydrazine (PubChem CID 105266606) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is [2-bicyclo[2.2.1]heptanyl-(5-chloro-1-benzofuran-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[2-bicyclo[2.2.1]heptanyl-(5-chloro-1-benzofuran-2-yl)methyl]hydrazine
PubChem CID105266606
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name[2-bicyclo[2.2.1]heptanyl-(5-chloro-1-benzofuran-2-yl)methyl]hydrazine
SMILESNNC(c1cc2cc(Cl)ccc2o1)C1CC2CCC1C2
InChIInChI=1S/C16H19ClN2O/c17-12-3-4-14-11(7-12)8-15(20-14)16(19-18)13-6-9-1-2-10(13)5-9/h3-4,7-10,13,16,19H,1-2,5-6,18H2
InChIKeyRAKVPSNXWGIYTB-UHFFFAOYSA-N
XLogP4.03
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(2-bicyclo[2.2.1]heptanyl)-1-(5-chloro-1-benzofuran-2-yl)ethyl]hydrazine
CID 105338486
[2-bicyclo[2.2.1]heptanyl-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine
CID 105266605
[(5-chloro-1-benzofuran-2-yl)-(thian-2-yl)methyl]hydrazine
CID 105255679
[(5-chloro-1-benzofuran-2-yl)-(2,2-dimethylcyclopropyl)methyl]hydrazine
CID 107005863
N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-6-chloro-2-oxochromene-3-carboxamide
CID 98289708
[(5-chloro-1-benzofuran-2-yl)-(3,3-difluorocyclopentyl)methyl]hydrazine
CID 114217007
2-bicyclo[2.2.1]heptanyl-(5-methyl-1-benzofuran-2-yl)methanol
CID 114727265
[2-bicyclo[2.2.1]heptanyl-(3-fluoro-4-methylphenyl)methyl]hydrazine
CID 107130879
1-(5-chloro-1-benzofuran-2-yl)-N-methyl-1-(thiolan-2-yl)methanamine
CID 114730301
1-(5-chloro-1-benzofuran-2-yl)-N-methyl-1-(oxolan-2-yl)methanamine
CID 114729092
1-(5-chloro-1-benzofuran-2-yl)-3-cyclohexylpropan-1-amine
CID 105045741
[2-bicyclo[2.2.1]heptanyl(naphthalen-1-yl)methyl]hydrazine
CID 105266833

Frequently Asked Questions

What is the IUPAC name of [2-bicyclo[2.2.1]heptanyl-(5-chloro-1-benzofuran-2-yl)methyl]hydrazine?
The IUPAC name of [2-bicyclo[2.2.1]heptanyl-(5-chloro-1-benzofuran-2-yl)methyl]hydrazine (CID 105266606) is [2-bicyclo[2.2.1]heptanyl-(5-chloro-1-benzofuran-2-yl)methyl]hydrazine.
What is the SMILES notation for [2-bicyclo[2.2.1]heptanyl-(5-chloro-1-benzofuran-2-yl)methyl]hydrazine?
The canonical SMILES for [2-bicyclo[2.2.1]heptanyl-(5-chloro-1-benzofuran-2-yl)methyl]hydrazine is NNC(c1cc2cc(Cl)ccc2o1)C1CC2CCC1C2.
What is the InChIKey of [2-bicyclo[2.2.1]heptanyl-(5-chloro-1-benzofuran-2-yl)methyl]hydrazine?
The InChIKey is RAKVPSNXWGIYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c17-12-3-4-14-11(7-12)8-15(20-14)16(19-18)13-6-9-1-2-10(13)5-9/h3-4,7-10,13,16,19H,1-2,5-6,18H2.
What are the key properties of [2-bicyclo[2.2.1]heptanyl-(5-chloro-1-benzofuran-2-yl)methyl]hydrazine?
[2-bicyclo[2.2.1]heptanyl-(5-chloro-1-benzofuran-2-yl)methyl]hydrazine has a molecular weight of 290.79 g/mol, XLogP of 4.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bicyclo[2.2.1]heptanyl-(5-chloro-1-benzofuran-2-yl)methyl]hydrazine is sourced from PubChem (CID 105266606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).