N'-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]benzohydrazide

C17H24N2O — CID 129440770

IUPACN'-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]benzohydrazide
SMILESO=C(NN[C@@H]1CC[C@H]2CCCC[C@H]2C1)c1ccccc1
InChIInChI=1S/C17H24N2O/c20-17(14-7-2-1-3-8-14)19-18-16-11-10-13-6-4-5-9-15(13)12-16/h1-3,7-8,13,15-16,18H,4-6,9-12H2,(H,19,20)/t13-,15+,16-/m1/s1
InChIKeyVNLZOQDWYMYSGP-VNQPRFMTSA-N
MW272.39 g/mol
LogP3.28
Rot. Bonds3

About N'-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]benzohydrazide

N'-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]benzohydrazide (PubChem CID 129440770) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N'-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]benzohydrazide.

Molecular Properties

Compound NameN'-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]benzohydrazide
PubChem CID129440770
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN'-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]benzohydrazide
SMILESO=C(NN[C@@H]1CC[C@H]2CCCC[C@H]2C1)c1ccccc1
InChIInChI=1S/C17H24N2O/c20-17(14-7-2-1-3-8-14)19-18-16-11-10-13-6-4-5-9-15(13)12-16/h1-3,7-8,13,15-16,18H,4-6,9-12H2,(H,19,20)/t13-,15+,16-/m1/s1
InChIKeyVNLZOQDWYMYSGP-VNQPRFMTSA-N
XLogP3.28
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]benzohydrazide?
The IUPAC name of N'-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]benzohydrazide (CID 129440770) is N'-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]benzohydrazide.
What is the SMILES notation for N'-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]benzohydrazide?
The canonical SMILES for N'-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]benzohydrazide is O=C(NN[C@@H]1CC[C@H]2CCCC[C@H]2C1)c1ccccc1.
What is the InChIKey of N'-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]benzohydrazide?
The InChIKey is VNLZOQDWYMYSGP-VNQPRFMTSA-N. The full InChI is InChI=1S/C17H24N2O/c20-17(14-7-2-1-3-8-14)19-18-16-11-10-13-6-4-5-9-15(13)12-16/h1-3,7-8,13,15-16,18H,4-6,9-12H2,(H,19,20)/t13-,15+,16-/m1/s1.
What are the key properties of N'-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]benzohydrazide?
N'-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]benzohydrazide has a molecular weight of 272.39 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]benzohydrazide is sourced from PubChem (CID 129440770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).