N'-[4-(2-bicyclo[2.2.1]heptanyl)butan-2-yl]acetohydrazide

C13H24N2O — CID 24832514

IUPACN'-[4-(2-bicyclo[2.2.1]heptanyl)butan-2-yl]acetohydrazide
SMILESCC(=O)NNC(C)CCC1CC2CCC1C2
InChIInChI=1S/C13H24N2O/c1-9(14-15-10(2)16)3-5-12-7-11-4-6-13(12)8-11/h9,11-14H,3-8H2,1-2H3,(H,15,16)
InChIKeyQFONJUPMWRCKLE-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.23
Rot. Bonds5

About N'-[4-(2-bicyclo[2.2.1]heptanyl)butan-2-yl]acetohydrazide

N'-[4-(2-bicyclo[2.2.1]heptanyl)butan-2-yl]acetohydrazide (PubChem CID 24832514) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N'-[4-(2-bicyclo[2.2.1]heptanyl)butan-2-yl]acetohydrazide.

Molecular Properties

Compound NameN'-[4-(2-bicyclo[2.2.1]heptanyl)butan-2-yl]acetohydrazide
PubChem CID24832514
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN'-[4-(2-bicyclo[2.2.1]heptanyl)butan-2-yl]acetohydrazide
SMILESCC(=O)NNC(C)CCC1CC2CCC1C2
InChIInChI=1S/C13H24N2O/c1-9(14-15-10(2)16)3-5-12-7-11-4-6-13(12)8-11/h9,11-14H,3-8H2,1-2H3,(H,15,16)
InChIKeyQFONJUPMWRCKLE-UHFFFAOYSA-N
XLogP2.23
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.23
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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Related Compounds

2-(3-chloro-4-methylpentyl)bicyclo[2.2.1]heptane
CID 79563064
1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(3-hydroxybutyl)urea
CID 111337233
methyl 3-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]propanoate
CID 11367388
(1S,2S,4R)-2-[2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]bicyclo[2.2.1]heptane
CID 54589598
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]propan-2-amine
CID 43163798
6-(2-bicyclo[2.2.1]heptanyl)-N,2-dimethylhexan-3-amine
CID 79550883
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chloropropanamide
CID 63683466
(2S)-2-propylbicyclo[2.2.1]heptane
CID 143719109
2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]ethanol
CID 14043124
4-(2-bicyclo[2.2.1]heptanyl)-N-(2-cyclohexylpropanoyl)butanamide
CID 143146998
1-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111454649
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 98679474

Frequently Asked Questions

What is the IUPAC name of N'-[4-(2-bicyclo[2.2.1]heptanyl)butan-2-yl]acetohydrazide?
The IUPAC name of N'-[4-(2-bicyclo[2.2.1]heptanyl)butan-2-yl]acetohydrazide (CID 24832514) is N'-[4-(2-bicyclo[2.2.1]heptanyl)butan-2-yl]acetohydrazide.
What is the SMILES notation for N'-[4-(2-bicyclo[2.2.1]heptanyl)butan-2-yl]acetohydrazide?
The canonical SMILES for N'-[4-(2-bicyclo[2.2.1]heptanyl)butan-2-yl]acetohydrazide is CC(=O)NNC(C)CCC1CC2CCC1C2.
What is the InChIKey of N'-[4-(2-bicyclo[2.2.1]heptanyl)butan-2-yl]acetohydrazide?
The InChIKey is QFONJUPMWRCKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-9(14-15-10(2)16)3-5-12-7-11-4-6-13(12)8-11/h9,11-14H,3-8H2,1-2H3,(H,15,16).
What are the key properties of N'-[4-(2-bicyclo[2.2.1]heptanyl)butan-2-yl]acetohydrazide?
N'-[4-(2-bicyclo[2.2.1]heptanyl)butan-2-yl]acetohydrazide has a molecular weight of 224.35 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(2-bicyclo[2.2.1]heptanyl)butan-2-yl]acetohydrazide is sourced from PubChem (CID 24832514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).