[5-[2-[1-amino-3-(1,3-dioxoisoindol-2-yl)propylidene]hydrazinyl]-5-oxopentanoyl]azanium

C16H20N5O4+ — CID 147032340

IUPAC[5-[2-[1-amino-3-(1,3-dioxoisoindol-2-yl)propylidene]hydrazinyl]-5-oxopentanoyl]azanium
SMILESNC(CCN1C(=O)c2ccccc2C1=O)=NNC(=O)CCCC([NH3+])=O
InChIInChI=1S/C16H19N5O4/c17-12(19-20-14(23)7-3-6-13(18)22)8-9-21-15(24)10-4-1-2-5-11(10)16(21)25/h1-2,4-5H,3,6-9H2,(H2,17,19)(H2,18,22)(H,20,23)/p+1
InChIKeyAXVOWKXBVSYQCL-UHFFFAOYSA-O
MW346.37 g/mol
LogP-1.00
Rot. Bonds8

About [5-[2-[1-amino-3-(1,3-dioxoisoindol-2-yl)propylidene]hydrazinyl]-5-oxopentanoyl]azanium

[5-[2-[1-amino-3-(1,3-dioxoisoindol-2-yl)propylidene]hydrazinyl]-5-oxopentanoyl]azanium (PubChem CID 147032340) has the molecular formula C16H20N5O4+ and a molecular weight of 346.37 g/mol. Its IUPAC name is [5-[2-[1-amino-3-(1,3-dioxoisoindol-2-yl)propylidene]hydrazinyl]-5-oxopentanoyl]azanium.

Molecular Properties

Compound Name[5-[2-[1-amino-3-(1,3-dioxoisoindol-2-yl)propylidene]hydrazinyl]-5-oxopentanoyl]azanium
PubChem CID147032340
Molecular FormulaC16H20N5O4+
Molecular Weight346.37 g/mol
Exact Mass346.15
IUPAC Name[5-[2-[1-amino-3-(1,3-dioxoisoindol-2-yl)propylidene]hydrazinyl]-5-oxopentanoyl]azanium
SMILESNC(CCN1C(=O)c2ccccc2C1=O)=NNC(=O)CCCC([NH3+])=O
InChIInChI=1S/C16H19N5O4/c17-12(19-20-14(23)7-3-6-13(18)22)8-9-21-15(24)10-4-1-2-5-11(10)16(21)25/h1-2,4-5H,3,6-9H2,(H2,17,19)(H2,18,22)(H,20,23)/p+1
InChIKeyAXVOWKXBVSYQCL-UHFFFAOYSA-O
XLogP-1.00
TPSA149.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 5-1.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N'-[(Z)-[1-amino-3-(1,3-dioxoisoindol-2-yl)propylidene]amino]pentanediamide
CID 130439754
N-(benzhydrylideneamino)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 9095307
5-(1,3-dioxoisoindol-2-yl)pentanehydrazide
CID 63572994
5-(1,3-dioxoisoindol-2-yl)pentanamide
CID 86775352
4-(1,3-dioxoisoindol-2-yl)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]butanamide
CID 135855125
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
3-(1,3-dioxoisoindol-2-yl)-N-methoxypropanamide
CID 51074410
2-[3-(1,3-dioxoisoindol-2-yl)-3-oxopropyl]isoindole-1,3-dione
CID 23374871
3-amino-N-[4-(1,3-dioxoisoindol-2-yl)butyl]propanamide
CID 119323792
N-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]formamide
CID 56766373
methyl 2-[6-(1,3-dioxoisoindol-2-yl)hexanoylamino]propanoate
CID 19166825
4-amino-N-[4-(1,3-dioxoisoindol-2-yl)butyl]butanamide;hydrochloride
CID 119323815

Frequently Asked Questions

What is the IUPAC name of [5-[2-[1-amino-3-(1,3-dioxoisoindol-2-yl)propylidene]hydrazinyl]-5-oxopentanoyl]azanium?
The IUPAC name of [5-[2-[1-amino-3-(1,3-dioxoisoindol-2-yl)propylidene]hydrazinyl]-5-oxopentanoyl]azanium (CID 147032340) is [5-[2-[1-amino-3-(1,3-dioxoisoindol-2-yl)propylidene]hydrazinyl]-5-oxopentanoyl]azanium.
What is the SMILES notation for [5-[2-[1-amino-3-(1,3-dioxoisoindol-2-yl)propylidene]hydrazinyl]-5-oxopentanoyl]azanium?
The canonical SMILES for [5-[2-[1-amino-3-(1,3-dioxoisoindol-2-yl)propylidene]hydrazinyl]-5-oxopentanoyl]azanium is NC(CCN1C(=O)c2ccccc2C1=O)=NNC(=O)CCCC([NH3+])=O.
What is the InChIKey of [5-[2-[1-amino-3-(1,3-dioxoisoindol-2-yl)propylidene]hydrazinyl]-5-oxopentanoyl]azanium?
The InChIKey is AXVOWKXBVSYQCL-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H19N5O4/c17-12(19-20-14(23)7-3-6-13(18)22)8-9-21-15(24)10-4-1-2-5-11(10)16(21)25/h1-2,4-5H,3,6-9H2,(H2,17,19)(H2,18,22)(H,20,23)/p+1.
What are the key properties of [5-[2-[1-amino-3-(1,3-dioxoisoindol-2-yl)propylidene]hydrazinyl]-5-oxopentanoyl]azanium?
[5-[2-[1-amino-3-(1,3-dioxoisoindol-2-yl)propylidene]hydrazinyl]-5-oxopentanoyl]azanium has a molecular weight of 346.37 g/mol, XLogP of -1.00, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-[1-amino-3-(1,3-dioxoisoindol-2-yl)propylidene]hydrazinyl]-5-oxopentanoyl]azanium is sourced from PubChem (CID 147032340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).