N,N-di(propan-2-yl)prop-2-enamide;ruthenium

C9H17NORu — CID 90254621

IUPACN,N-di(propan-2-yl)prop-2-enamide;ruthenium
SMILESC=CC(=O)N(C(C)C)C(C)C.[Ru]
InChIInChI=1S/C9H17NO.Ru/c1-6-9(11)10(7(2)3)8(4)5;/h6-8H,1H2,2-5H3;
InChIKeyFAKIZKSNOOQIMK-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.82
Rot. Bonds3

About N,N-di(propan-2-yl)prop-2-enamide;ruthenium

N,N-di(propan-2-yl)prop-2-enamide;ruthenium (PubChem CID 90254621) has the molecular formula C9H17NORu and a molecular weight of 256.31 g/mol. Its IUPAC name is N,N-di(propan-2-yl)prop-2-enamide;ruthenium.

Molecular Properties

Compound NameN,N-di(propan-2-yl)prop-2-enamide;ruthenium
PubChem CID90254621
Molecular FormulaC9H17NORu
Molecular Weight256.31 g/mol
Exact Mass257.04
IUPAC NameN,N-di(propan-2-yl)prop-2-enamide;ruthenium
SMILESC=CC(=O)N(C(C)C)C(C)C.[Ru]
InChIInChI=1S/C9H17NO.Ru/c1-6-9(11)10(7(2)3)8(4)5;/h6-8H,1H2,2-5H3;
InChIKeyFAKIZKSNOOQIMK-UHFFFAOYSA-N
XLogP1.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N,N-Diethylacrylamide
CID 17583
N,N-Diallylacrylamide
CID 95114
Acetamide, N-(1-methylethyl)-N-2-propenyl-
CID 77447
N,N,N',N'-tetraisopropyl fumaramide
CID 6385603
N,N-Diisopropylacrylamide
CID 559397
2-Butenamide, N,N-diisopropyl-, (E)-
CID 5366037
N,N-dibutylprop-2-enamide
CID 10419855
n,n-Dipropylprop-2-enamide
CID 266287
N-ethyl-N-methylprop-2-enamide
CID 10441673
2-Propenamide, N,N-bis(2-methylpropyl)-
CID 11960595
n-Allyl-n-methylacrylamide
CID 12294821
N-propan-2-yl-N-prop-2-enylprop-2-enamide
CID 12294823

Frequently Asked Questions

What is the IUPAC name of N,N-di(propan-2-yl)prop-2-enamide;ruthenium?
The IUPAC name of N,N-di(propan-2-yl)prop-2-enamide;ruthenium (CID 90254621) is N,N-di(propan-2-yl)prop-2-enamide;ruthenium.
What is the SMILES notation for N,N-di(propan-2-yl)prop-2-enamide;ruthenium?
The canonical SMILES for N,N-di(propan-2-yl)prop-2-enamide;ruthenium is C=CC(=O)N(C(C)C)C(C)C.[Ru].
What is the InChIKey of N,N-di(propan-2-yl)prop-2-enamide;ruthenium?
The InChIKey is FAKIZKSNOOQIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.Ru/c1-6-9(11)10(7(2)3)8(4)5;/h6-8H,1H2,2-5H3;.
What are the key properties of N,N-di(propan-2-yl)prop-2-enamide;ruthenium?
N,N-di(propan-2-yl)prop-2-enamide;ruthenium has a molecular weight of 256.31 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(propan-2-yl)prop-2-enamide;ruthenium is sourced from PubChem (CID 90254621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).