CID 162046175

C9H17N2O4Pb — CID 162046175

IUPAC—
SMILESCC(=O)/C(C)=N/O.CC(=O)C(C)=NO.C[Pb]
InChIInChI=1S/2C4H7NO2.CH3.Pb/c2*1-3(5-7)4(2)6;;/h2*7H,1-2H3;1H3;/b5-3+;;;
InChIKeyYXXKZMVBGJCDDM-PTPDRMABSA-N
MW424.45 g/mol
LogP1.05
Rot. Bonds2

About CID 162046175

CID 162046175 (PubChem CID 162046175) has the molecular formula C9H17N2O4Pb and a molecular weight of 424.45 g/mol.

Molecular Properties

Compound NameCID 162046175
PubChem CID162046175
Molecular FormulaC9H17N2O4Pb
Molecular Weight424.45 g/mol
Exact Mass425.10
IUPAC Name—
SMILESCC(=O)/C(C)=N/O.CC(=O)C(C)=NO.C[Pb]
InChIInChI=1S/2C4H7NO2.CH3.Pb/c2*1-3(5-7)4(2)6;;/h2*7H,1-2H3;1H3;/b5-3+;;;
InChIKeyYXXKZMVBGJCDDM-PTPDRMABSA-N
XLogP1.05
TPSA99.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.45
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3E)-1,1,1-trideuterio-3-hydroxyiminobutan-2-one
CID 177440866
carbamic acid;(NE)-N-[(3E)-3-hydroxyiminobutan-2-ylidene]hydroxylamine
CID 175173271
ethane;(2Z)-2-hydroxyiminopropanamide
CID 143459456
3-[3-(3-oxobutan-2-ylidenehydrazinylidene)butan-2-ylidenehydrazinylidene]butan-2-one
CID 131885174
(3E)-3-hydrazinylidenebutan-2-one
CID 11137106
acetyl 2-hydroxyiminopropanoate
CID 174342286
(NE)-N-[(2Z,4E,5Z)-2,4,5-tris(hydroxyimino)hexan-3-ylidene]hydroxylamine
CID 135897357
(3Z)-3-(dimethylhydrazinylidene)butan-2-one
CID 93497612
ethyl 2-hydroxyiminopropanoate
CID 6399798
2-(3-hydroxyiminobutan-2-ylideneamino)acetic acid
CID 135472003
(4Z)-4-hydroxyimino-3-oxopentanamide
CID 21312506
ethanol;(NE)-N-[(3E)-3-hydroxyiminobutan-2-ylidene]hydroxylamine
CID 174673280

Frequently Asked Questions

What is the IUPAC name of CID 162046175?
The IUPAC name of CID 162046175 (CID 162046175) is not available.
What is the SMILES notation for CID 162046175?
The canonical SMILES for CID 162046175 is CC(=O)/C(C)=N/O.CC(=O)C(C)=NO.C[Pb].
What is the InChIKey of CID 162046175?
The InChIKey is YXXKZMVBGJCDDM-PTPDRMABSA-N. The full InChI is InChI=1S/2C4H7NO2.CH3.Pb/c2*1-3(5-7)4(2)6;;/h2*7H,1-2H3;1H3;/b5-3+;;;.
What are the key properties of CID 162046175?
CID 162046175 has a molecular weight of 424.45 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162046175 is sourced from PubChem (CID 162046175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).