carbanide;dichloro-[(2-oxopyrrolidin-1-yl)methylidene]ruthenium

C7H13Cl2NORu-2 — CID 21044567

IUPACcarbanide;dichloro-[(2-oxopyrrolidin-1-yl)methylidene]ruthenium
SMILESO=C1CCCN1C=[Ru](Cl)Cl.[CH3-].[CH3-]
InChIInChI=1S/C5H7NO.2CH3.2ClH.Ru/c1-6-4-2-3-5(6)7;;;;;/h1H,2-4H2;2*1H3;2*1H;/q;2*-1;;;+2/p-2
InChIKeyNMFJNRALCZWQQR-UHFFFAOYSA-L
MW299.16 g/mol
LogP2.19
Rot. Bonds1

About carbanide;dichloro-[(2-oxopyrrolidin-1-yl)methylidene]ruthenium

carbanide;dichloro-[(2-oxopyrrolidin-1-yl)methylidene]ruthenium (PubChem CID 21044567) has the molecular formula C7H13Cl2NORu-2 and a molecular weight of 299.16 g/mol. Its IUPAC name is carbanide;dichloro-[(2-oxopyrrolidin-1-yl)methylidene]ruthenium.

Molecular Properties

Compound Namecarbanide;dichloro-[(2-oxopyrrolidin-1-yl)methylidene]ruthenium
PubChem CID21044567
Molecular FormulaC7H13Cl2NORu-2
Molecular Weight299.16 g/mol
Exact Mass298.94
IUPAC Namecarbanide;dichloro-[(2-oxopyrrolidin-1-yl)methylidene]ruthenium
SMILESO=C1CCCN1C=[Ru](Cl)Cl.[CH3-].[CH3-]
InChIInChI=1S/C5H7NO.2CH3.2ClH.Ru/c1-6-4-2-3-5(6)7;;;;;/h1H,2-4H2;2*1H3;2*1H;/q;2*-1;;;+2/p-2
InChIKeyNMFJNRALCZWQQR-UHFFFAOYSA-L
XLogP2.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

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CID 18984
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CID 2770497
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CID 70266
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CID 77392
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CID 209257
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CID 11989721
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CID 303117
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CID 566544
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CID 18983
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Frequently Asked Questions

What is the IUPAC name of carbanide;dichloro-[(2-oxopyrrolidin-1-yl)methylidene]ruthenium?
The IUPAC name of carbanide;dichloro-[(2-oxopyrrolidin-1-yl)methylidene]ruthenium (CID 21044567) is carbanide;dichloro-[(2-oxopyrrolidin-1-yl)methylidene]ruthenium.
What is the SMILES notation for carbanide;dichloro-[(2-oxopyrrolidin-1-yl)methylidene]ruthenium?
The canonical SMILES for carbanide;dichloro-[(2-oxopyrrolidin-1-yl)methylidene]ruthenium is O=C1CCCN1C=[Ru](Cl)Cl.[CH3-].[CH3-].
What is the InChIKey of carbanide;dichloro-[(2-oxopyrrolidin-1-yl)methylidene]ruthenium?
The InChIKey is NMFJNRALCZWQQR-UHFFFAOYSA-L. The full InChI is InChI=1S/C5H7NO.2CH3.2ClH.Ru/c1-6-4-2-3-5(6)7;;;;;/h1H,2-4H2;2*1H3;2*1H;/q;2*-1;;;+2/p-2.
What are the key properties of carbanide;dichloro-[(2-oxopyrrolidin-1-yl)methylidene]ruthenium?
carbanide;dichloro-[(2-oxopyrrolidin-1-yl)methylidene]ruthenium has a molecular weight of 299.16 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;dichloro-[(2-oxopyrrolidin-1-yl)methylidene]ruthenium is sourced from PubChem (CID 21044567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).