N-(1-methoxyprop-1-en-2-yl)propan-2-imine

C7H13NO — CID 91052997

IUPACN-(1-methoxyprop-1-en-2-yl)propan-2-imine
SMILESCOC=C(C)N=C(C)C
InChIInChI=1S/C7H13NO/c1-6(2)8-7(3)5-9-4/h5H,1-4H3
InChIKeyZELPHWBCZWFZKT-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.97
Rot. Bonds2

About N-(1-methoxyprop-1-en-2-yl)propan-2-imine

N-(1-methoxyprop-1-en-2-yl)propan-2-imine (PubChem CID 91052997) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is N-(1-methoxyprop-1-en-2-yl)propan-2-imine.

Molecular Properties

Compound NameN-(1-methoxyprop-1-en-2-yl)propan-2-imine
PubChem CID91052997
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC NameN-(1-methoxyprop-1-en-2-yl)propan-2-imine
SMILESCOC=C(C)N=C(C)C
InChIInChI=1S/C7H13NO/c1-6(2)8-7(3)5-9-4/h5H,1-4H3
InChIKeyZELPHWBCZWFZKT-UHFFFAOYSA-N
XLogP1.97
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxyprop-1-en-2-yl)propan-2-imine?
The IUPAC name of N-(1-methoxyprop-1-en-2-yl)propan-2-imine (CID 91052997) is N-(1-methoxyprop-1-en-2-yl)propan-2-imine.
What is the SMILES notation for N-(1-methoxyprop-1-en-2-yl)propan-2-imine?
The canonical SMILES for N-(1-methoxyprop-1-en-2-yl)propan-2-imine is COC=C(C)N=C(C)C.
What is the InChIKey of N-(1-methoxyprop-1-en-2-yl)propan-2-imine?
The InChIKey is ZELPHWBCZWFZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-6(2)8-7(3)5-9-4/h5H,1-4H3.
What are the key properties of N-(1-methoxyprop-1-en-2-yl)propan-2-imine?
N-(1-methoxyprop-1-en-2-yl)propan-2-imine has a molecular weight of 127.19 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxyprop-1-en-2-yl)propan-2-imine is sourced from PubChem (CID 91052997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).