cyclopropane;trimethyl-(prop-2-enoylamino)azanium

C9H19N2O+ — CID 70524637

IUPACcyclopropane;trimethyl-(prop-2-enoylamino)azanium
SMILESC1CC1.C=CC(=O)N[N+](C)(C)C
InChIInChI=1S/C6H12N2O.C3H6/c1-5-6(9)7-8(2,3)4;1-2-3-1/h5H,1H2,2-4H3;1-3H2/p+1
InChIKeyDLXIYQABNBWBNA-UHFFFAOYSA-O
MW171.26 g/mol
LogP1.08
Rot. Bonds2

About cyclopropane;trimethyl-(prop-2-enoylamino)azanium

cyclopropane;trimethyl-(prop-2-enoylamino)azanium (PubChem CID 70524637) has the molecular formula C9H19N2O+ and a molecular weight of 171.26 g/mol. Its IUPAC name is cyclopropane;trimethyl-(prop-2-enoylamino)azanium.

Molecular Properties

Compound Namecyclopropane;trimethyl-(prop-2-enoylamino)azanium
PubChem CID70524637
Molecular FormulaC9H19N2O+
Molecular Weight171.26 g/mol
Exact Mass171.15
IUPAC Namecyclopropane;trimethyl-(prop-2-enoylamino)azanium
SMILESC1CC1.C=CC(=O)N[N+](C)(C)C
InChIInChI=1S/C6H12N2O.C3H6/c1-5-6(9)7-8(2,3)4;1-2-3-1/h5H,1H2,2-4H3;1-3H2/p+1
InChIKeyDLXIYQABNBWBNA-UHFFFAOYSA-O
XLogP1.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopropane;trimethyl-(prop-2-enoylamino)azanium?
The IUPAC name of cyclopropane;trimethyl-(prop-2-enoylamino)azanium (CID 70524637) is cyclopropane;trimethyl-(prop-2-enoylamino)azanium.
What is the SMILES notation for cyclopropane;trimethyl-(prop-2-enoylamino)azanium?
The canonical SMILES for cyclopropane;trimethyl-(prop-2-enoylamino)azanium is C1CC1.C=CC(=O)N[N+](C)(C)C.
What is the InChIKey of cyclopropane;trimethyl-(prop-2-enoylamino)azanium?
The InChIKey is DLXIYQABNBWBNA-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H12N2O.C3H6/c1-5-6(9)7-8(2,3)4;1-2-3-1/h5H,1H2,2-4H3;1-3H2/p+1.
What are the key properties of cyclopropane;trimethyl-(prop-2-enoylamino)azanium?
cyclopropane;trimethyl-(prop-2-enoylamino)azanium has a molecular weight of 171.26 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropane;trimethyl-(prop-2-enoylamino)azanium is sourced from PubChem (CID 70524637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).