3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-phenylpropanehydrazide

C16H23N3O — CID 115562539

IUPAC3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-phenylpropanehydrazide
SMILESNNC(=O)C(CN1CC2CCCC2C1)c1ccccc1
InChIInChI=1S/C16H23N3O/c17-18-16(20)15(12-5-2-1-3-6-12)11-19-9-13-7-4-8-14(13)10-19/h1-3,5-6,13-15H,4,7-11,17H2,(H,18,20)
InChIKeyMPDWBGZRSCBXJO-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.49
Rot. Bonds4

About 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-phenylpropanehydrazide

3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-phenylpropanehydrazide (PubChem CID 115562539) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-phenylpropanehydrazide.

Molecular Properties

Compound Name3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-phenylpropanehydrazide
PubChem CID115562539
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-phenylpropanehydrazide
SMILESNNC(=O)C(CN1CC2CCCC2C1)c1ccccc1
InChIInChI=1S/C16H23N3O/c17-18-16(20)15(12-5-2-1-3-6-12)11-19-9-13-7-4-8-14(13)10-19/h1-3,5-6,13-15H,4,7-11,17H2,(H,18,20)
InChIKeyMPDWBGZRSCBXJO-UHFFFAOYSA-N
XLogP1.49
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methylpiperidin-1-yl)-2-phenylpropanehydrazide
CID 64566034
methyl 3-[3-(aminomethyl)piperidin-1-yl]-2-phenylpropanoate
CID 64559049
methyl 3-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylpropanoate
CID 64564821
3-[3-(aminomethyl)piperidin-1-yl]-2-phenylpropanoic acid
CID 64558858
6-hydrazinyl-6-oxo-5-phenylhexanoic acid
CID 67909568
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-phenylpropan-1-ol
CID 115562031
3-[3-(aminomethyl)pyrrolidin-1-yl]-2-phenylpropanoic acid
CID 64566086
methyl 3-(3-methoxypiperidin-1-yl)-2-phenylpropanoate
CID 102959585
4-[2-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;phenol
CID 145052357
3-[cyclopropyl(ethyl)amino]-2-phenylpropanehydrazide
CID 64566245
2-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)phenyl]acetohydrazide
CID 105352050
3-(3-cyano-1,2,4-triazol-1-yl)-2-phenylpropanehydrazide
CID 64559397

Frequently Asked Questions

What is the IUPAC name of 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-phenylpropanehydrazide?
The IUPAC name of 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-phenylpropanehydrazide (CID 115562539) is 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-phenylpropanehydrazide.
What is the SMILES notation for 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-phenylpropanehydrazide?
The canonical SMILES for 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-phenylpropanehydrazide is NNC(=O)C(CN1CC2CCCC2C1)c1ccccc1.
What is the InChIKey of 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-phenylpropanehydrazide?
The InChIKey is MPDWBGZRSCBXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c17-18-16(20)15(12-5-2-1-3-6-12)11-19-9-13-7-4-8-14(13)10-19/h1-3,5-6,13-15H,4,7-11,17H2,(H,18,20).
What are the key properties of 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-phenylpropanehydrazide?
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-phenylpropanehydrazide has a molecular weight of 273.38 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-phenylpropanehydrazide is sourced from PubChem (CID 115562539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).