N-(1-propoxyprop-1-en-2-yl)methanimine

C7H13NO — CID 90904514

IUPACN-(1-propoxyprop-1-en-2-yl)methanimine
SMILESC=NC(C)=COCCC
InChIInChI=1S/C7H13NO/c1-4-5-9-6-7(2)8-3/h6H,3-5H2,1-2H3
InChIKeyLBUAACOSXXOUBV-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.97
Rot. Bonds4

About N-(1-propoxyprop-1-en-2-yl)methanimine

N-(1-propoxyprop-1-en-2-yl)methanimine (PubChem CID 90904514) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is N-(1-propoxyprop-1-en-2-yl)methanimine.

Molecular Properties

Compound NameN-(1-propoxyprop-1-en-2-yl)methanimine
PubChem CID90904514
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC NameN-(1-propoxyprop-1-en-2-yl)methanimine
SMILESC=NC(C)=COCCC
InChIInChI=1S/C7H13NO/c1-4-5-9-6-7(2)8-3/h6H,3-5H2,1-2H3
InChIKeyLBUAACOSXXOUBV-UHFFFAOYSA-N
XLogP1.97
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

ethyl N-prop-1-en-2-ylmethanimidate
CID 13678294
4-methyl-2H-1,3-oxazol-2-ide;vanadium
CID 58775058
(E)-1-ethoxy-2-isocyanoprop-1-ene
CID 59749713
N-[(Z)-1-methoxybut-1-en-2-yl]methanimine
CID 89041768
N-(1-methoxyprop-1-enyl)methanimine
CID 90741450
N-(1-methoxyprop-1-en-2-yl)propan-2-imine
CID 91052997
N-(1-ethoxyprop-1-en-2-yl)ethanimine
CID 91286657
methyl N-prop-1-en-2-ylmethanimidate
CID 123155048
N-(4-ethoxybuta-1,3-dien-2-yl)methanimine
CID 123372331
N-[(Z)-1-methoxyprop-1-en-2-yl]methanimine
CID 142116090
N-[(E)-1-methoxyprop-1-enyl]methanimine
CID 142929876
4-methyl-2H-1,3-oxazol-2-ide;rhenium
CID 143394381

Frequently Asked Questions

What is the IUPAC name of N-(1-propoxyprop-1-en-2-yl)methanimine?
The IUPAC name of N-(1-propoxyprop-1-en-2-yl)methanimine (CID 90904514) is N-(1-propoxyprop-1-en-2-yl)methanimine.
What is the SMILES notation for N-(1-propoxyprop-1-en-2-yl)methanimine?
The canonical SMILES for N-(1-propoxyprop-1-en-2-yl)methanimine is C=NC(C)=COCCC.
What is the InChIKey of N-(1-propoxyprop-1-en-2-yl)methanimine?
The InChIKey is LBUAACOSXXOUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-4-5-9-6-7(2)8-3/h6H,3-5H2,1-2H3.
What are the key properties of N-(1-propoxyprop-1-en-2-yl)methanimine?
N-(1-propoxyprop-1-en-2-yl)methanimine has a molecular weight of 127.19 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propoxyprop-1-en-2-yl)methanimine is sourced from PubChem (CID 90904514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).