N-prop-2-enoxypent-3-en-2-imine

C8H13NO — CID 76825450

IUPACN-prop-2-enoxypent-3-en-2-imine
SMILESC=CCON=C(C)C=CC
InChIInChI=1S/C8H13NO/c1-4-6-8(3)9-10-7-5-2/h4-6H,2,7H2,1,3H3
InChIKeyNQQWEYXROIDMJF-UHFFFAOYSA-N
MW139.20 g/mol
LogP2.14
Rot. Bonds4

About N-prop-2-enoxypent-3-en-2-imine

N-prop-2-enoxypent-3-en-2-imine (PubChem CID 76825450) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is N-prop-2-enoxypent-3-en-2-imine.

Molecular Properties

Compound NameN-prop-2-enoxypent-3-en-2-imine
PubChem CID76825450
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC NameN-prop-2-enoxypent-3-en-2-imine
SMILESC=CCON=C(C)C=CC
InChIInChI=1S/C8H13NO/c1-4-6-8(3)9-10-7-5-2/h4-6H,2,7H2,1,3H3
InChIKeyNQQWEYXROIDMJF-UHFFFAOYSA-N
XLogP2.14
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(prop-1-en-1-yl)-4,5-dihydroisoxazole
CID 10313103
3-methyl-6H-oxazine
CID 13789889
4-Methyl-3-penten-2-one, O-ethyloxime, anty
CID 91748337
(E,E)-N-methoxyoct-3-en-2-imine
CID 5371495
3-Hepten-2-one, O-methyloxime
CID 9601360
4-Hexen-3-one, O-methyloxime
CID 9601753
3-Octen-2-one, methyloxime
CID 9602880
3-[(Z)-prop-1-enyl]-4,5-dihydro-1,2-oxazole
CID 11332433
N-ethoxycyclohexa-2,5-dien-1-imine
CID 19708078
N-methoxycyclohexa-2,5-dien-1-imine
CID 19708088
N-ethoxycyclohexa-2,4-dien-1-imine
CID 53763905
3-(Prop-1-en-1-yl)-4,5-dihydro-1,2-oxazole
CID 54143772

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enoxypent-3-en-2-imine?
The IUPAC name of N-prop-2-enoxypent-3-en-2-imine (CID 76825450) is N-prop-2-enoxypent-3-en-2-imine.
What is the SMILES notation for N-prop-2-enoxypent-3-en-2-imine?
The canonical SMILES for N-prop-2-enoxypent-3-en-2-imine is C=CCON=C(C)C=CC.
What is the InChIKey of N-prop-2-enoxypent-3-en-2-imine?
The InChIKey is NQQWEYXROIDMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-4-6-8(3)9-10-7-5-2/h4-6H,2,7H2,1,3H3.
What are the key properties of N-prop-2-enoxypent-3-en-2-imine?
N-prop-2-enoxypent-3-en-2-imine has a molecular weight of 139.20 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enoxypent-3-en-2-imine is sourced from PubChem (CID 76825450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).