ethene;molecular hydrogen;1-(propan-2-ylideneamino)propan-2-one

C8H17NO — CID 144731432

IUPACethene;molecular hydrogen;1-(propan-2-ylideneamino)propan-2-one
SMILESC=C.CC(=O)CN=C(C)C.[H][H]
InChIInChI=1S/C6H11NO.C2H4.H2/c1-5(2)7-4-6(3)8;1-2;/h4H2,1-3H3;1-2H2;1H
InChIKeyRNKVBXOVLGHBHD-UHFFFAOYSA-N
MW143.23 g/mol
LogP2.10
Rot. Bonds2

About ethene;molecular hydrogen;1-(propan-2-ylideneamino)propan-2-one

ethene;molecular hydrogen;1-(propan-2-ylideneamino)propan-2-one (PubChem CID 144731432) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is ethene;molecular hydrogen;1-(propan-2-ylideneamino)propan-2-one.

Molecular Properties

Compound Nameethene;molecular hydrogen;1-(propan-2-ylideneamino)propan-2-one
PubChem CID144731432
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Nameethene;molecular hydrogen;1-(propan-2-ylideneamino)propan-2-one
SMILESC=C.CC(=O)CN=C(C)C.[H][H]
InChIInChI=1S/C6H11NO.C2H4.H2/c1-5(2)7-4-6(3)8;1-2;/h4H2,1-3H3;1-2H2;1H
InChIKeyRNKVBXOVLGHBHD-UHFFFAOYSA-N
XLogP2.10
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethene;molecular hydrogen;1-(propan-2-ylideneamino)propan-2-one?
The IUPAC name of ethene;molecular hydrogen;1-(propan-2-ylideneamino)propan-2-one (CID 144731432) is ethene;molecular hydrogen;1-(propan-2-ylideneamino)propan-2-one.
What is the SMILES notation for ethene;molecular hydrogen;1-(propan-2-ylideneamino)propan-2-one?
The canonical SMILES for ethene;molecular hydrogen;1-(propan-2-ylideneamino)propan-2-one is C=C.CC(=O)CN=C(C)C.[H][H].
What is the InChIKey of ethene;molecular hydrogen;1-(propan-2-ylideneamino)propan-2-one?
The InChIKey is RNKVBXOVLGHBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.C2H4.H2/c1-5(2)7-4-6(3)8;1-2;/h4H2,1-3H3;1-2H2;1H.
What are the key properties of ethene;molecular hydrogen;1-(propan-2-ylideneamino)propan-2-one?
ethene;molecular hydrogen;1-(propan-2-ylideneamino)propan-2-one has a molecular weight of 143.23 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;molecular hydrogen;1-(propan-2-ylideneamino)propan-2-one is sourced from PubChem (CID 144731432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).