N-methyl-2-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienoxy]prop-2-en-1-imine

C12H17NO — CID 143612391

IUPACN-methyl-2-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienoxy]prop-2-en-1-imine
SMILESC=C/C=C(\C=C/C)COC(=C)/C=N/C
InChIInChI=1S/C12H17NO/c1-5-7-12(8-6-2)10-14-11(3)9-13-4/h5-9H,1,3,10H2,2,4H3/b8-6-,12-7+,13-9+
InChIKeyDTOLGUPZROKDJS-BUIWXONQSA-N
MW191.27 g/mol
LogP2.91
Rot. Bonds6

About N-methyl-2-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienoxy]prop-2-en-1-imine

N-methyl-2-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienoxy]prop-2-en-1-imine (PubChem CID 143612391) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is N-methyl-2-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienoxy]prop-2-en-1-imine.

Molecular Properties

Compound NameN-methyl-2-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienoxy]prop-2-en-1-imine
PubChem CID143612391
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC NameN-methyl-2-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienoxy]prop-2-en-1-imine
SMILESC=C/C=C(\C=C/C)COC(=C)/C=N/C
InChIInChI=1S/C12H17NO/c1-5-7-12(8-6-2)10-14-11(3)9-13-4/h5-9H,1,3,10H2,2,4H3/b8-6-,12-7+,13-9+
InChIKeyDTOLGUPZROKDJS-BUIWXONQSA-N
XLogP2.91
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.91
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]methanimine
CID 166868320
N-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]methanimine
CID 142294235
[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl] 2,2-dimethylpentanoate
CID 167457849
(3E,5Z)-4-(hex-5-enoxymethyl)hepta-1,3,5-triene
CID 143973281
(3E,5Z)-4-(2-methylbutoxymethyl)hepta-1,3,5-triene
CID 143465864
ethane;(3E,5Z)-4-(methylsulfanylmethyl)hepta-1,3,5-triene
CID 142823912
(3Z,6Z,7Z)-4-ethenyl-6-(methoxymethylidene)nona-1,3,7-triene
CID 143921031
4-methyl-6-penta-1,3-dien-2-yloxyhexa-1,3-diene
CID 123515731
ethane;(3Z)-3-[(Z)-prop-1-enyl]hexa-3,5-dienenitrile
CID 142107986
ethane;(3Z)-4-[(Z)-prop-1-enyl]octa-1,3-diene
CID 142022123
(6Z)-1-amino-6-[(Z)-prop-1-enyl]nona-6,8-dien-3-one
CID 163240839
(4Z)-N,2-dioxo-4-[(Z)-prop-1-enyl]hepta-4,6-dienamide;ethane
CID 143265988

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienoxy]prop-2-en-1-imine?
The IUPAC name of N-methyl-2-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienoxy]prop-2-en-1-imine (CID 143612391) is N-methyl-2-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienoxy]prop-2-en-1-imine.
What is the SMILES notation for N-methyl-2-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienoxy]prop-2-en-1-imine?
The canonical SMILES for N-methyl-2-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienoxy]prop-2-en-1-imine is C=C/C=C(\C=C/C)COC(=C)/C=N/C.
What is the InChIKey of N-methyl-2-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienoxy]prop-2-en-1-imine?
The InChIKey is DTOLGUPZROKDJS-BUIWXONQSA-N. The full InChI is InChI=1S/C12H17NO/c1-5-7-12(8-6-2)10-14-11(3)9-13-4/h5-9H,1,3,10H2,2,4H3/b8-6-,12-7+,13-9+.
What are the key properties of N-methyl-2-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienoxy]prop-2-en-1-imine?
N-methyl-2-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienoxy]prop-2-en-1-imine has a molecular weight of 191.27 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienoxy]prop-2-en-1-imine is sourced from PubChem (CID 143612391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).