N-[[2-[1-(1,3-dioxolan-2-yl)-2-methoxyethenyl]phenyl]methoxy]propan-2-imine

C16H21NO4 — CID 72599770

IUPACN-[[2-[1-(1,3-dioxolan-2-yl)-2-methoxyethenyl]phenyl]methoxy]propan-2-imine
SMILESCOC=C(c1ccccc1CON=C(C)C)C1OCCO1
InChIInChI=1S/C16H21NO4/c1-12(2)17-21-10-13-6-4-5-7-14(13)15(11-18-3)16-19-8-9-20-16/h4-7,11,16H,8-10H2,1-3H3
InChIKeyBRZKEFWSVQSEAS-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.96
Rot. Bonds6

About N-[[2-[1-(1,3-dioxolan-2-yl)-2-methoxyethenyl]phenyl]methoxy]propan-2-imine

N-[[2-[1-(1,3-dioxolan-2-yl)-2-methoxyethenyl]phenyl]methoxy]propan-2-imine (PubChem CID 72599770) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[[2-[1-(1,3-dioxolan-2-yl)-2-methoxyethenyl]phenyl]methoxy]propan-2-imine.

Molecular Properties

Compound NameN-[[2-[1-(1,3-dioxolan-2-yl)-2-methoxyethenyl]phenyl]methoxy]propan-2-imine
PubChem CID72599770
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC NameN-[[2-[1-(1,3-dioxolan-2-yl)-2-methoxyethenyl]phenyl]methoxy]propan-2-imine
SMILESCOC=C(c1ccccc1CON=C(C)C)C1OCCO1
InChIInChI=1S/C16H21NO4/c1-12(2)17-21-10-13-6-4-5-7-14(13)15(11-18-3)16-19-8-9-20-16/h4-7,11,16H,8-10H2,1-3H3
InChIKeyBRZKEFWSVQSEAS-UHFFFAOYSA-N
XLogP2.96
TPSA49.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-2-methoxy-1-[2-(methoxymethyl)phenyl]ethenyl]-1,3-dioxolane
CID 59934417
methyl 2-[2-[(propan-2-ylideneamino)oxymethyl]phenyl]prop-2-enoate
CID 21350017
(1Z)-N-methoxy-2-[(propan-2-ylideneamino)oxymethyl]benzenecarboximidoyl cyanide
CID 22944327
(2Z)-2-methoxyimino-2-[2-[(propan-2-ylideneamino)oxymethyl]phenyl]ethanethioamide
CID 22944331
methyl (2E)-2-methoxyimino-N-methyl-2-[2-[(propan-2-ylideneamino)oxymethyl]phenyl]ethanimidate
CID 59871398
1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-1-(1,3-dioxolan-2-yl)-N-methoxymethanimine
CID 54072231
N-[[2-[C-(4,5-dihydro-1H-imidazol-2-yl)-N-methoxycarbonimidoyl]phenyl]methoxy]propan-2-imine
CID 72599746
N-[C-[(Z)-N-methoxy-C-[2-[(propan-2-ylideneamino)oxymethyl]phenyl]carbonimidoyl]-N-methylcarbonimidoyl]acetamide
CID 90935742
(2E)-2-methoxyimino-2-[2-[(propan-2-ylideneamino)oxymethyl]phenyl]ethanethioamide;(1E)-N-methoxy-2-[(propan-2-ylideneamino)oxymethyl]benzenecarboximidoyl cyanide;sulfane
CID 172929086
(E)-2-[2-[[[(E)-4-(4-chlorophenyl)but-3-en-2-ylidene]amino]oxymethyl]phenyl]-3-methoxyprop-2-enoic acid
CID 166732161
methyl 2-[2-[[[1-(4-diethoxyphosphorylphenyl)-1-methoxyiminopropan-2-ylidene]amino]oxymethyl]phenyl]-3-methoxyprop-2-enoate
CID 72611070
methyl (Z)-3-hydroxy-2-[2-[[(E)-[(3E)-3-methoxyiminobutan-2-ylidene]amino]oxymethyl]phenyl]prop-2-enoate
CID 59973026

Frequently Asked Questions

What is the IUPAC name of N-[[2-[1-(1,3-dioxolan-2-yl)-2-methoxyethenyl]phenyl]methoxy]propan-2-imine?
The IUPAC name of N-[[2-[1-(1,3-dioxolan-2-yl)-2-methoxyethenyl]phenyl]methoxy]propan-2-imine (CID 72599770) is N-[[2-[1-(1,3-dioxolan-2-yl)-2-methoxyethenyl]phenyl]methoxy]propan-2-imine.
What is the SMILES notation for N-[[2-[1-(1,3-dioxolan-2-yl)-2-methoxyethenyl]phenyl]methoxy]propan-2-imine?
The canonical SMILES for N-[[2-[1-(1,3-dioxolan-2-yl)-2-methoxyethenyl]phenyl]methoxy]propan-2-imine is COC=C(c1ccccc1CON=C(C)C)C1OCCO1.
What is the InChIKey of N-[[2-[1-(1,3-dioxolan-2-yl)-2-methoxyethenyl]phenyl]methoxy]propan-2-imine?
The InChIKey is BRZKEFWSVQSEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-12(2)17-21-10-13-6-4-5-7-14(13)15(11-18-3)16-19-8-9-20-16/h4-7,11,16H,8-10H2,1-3H3.
What are the key properties of N-[[2-[1-(1,3-dioxolan-2-yl)-2-methoxyethenyl]phenyl]methoxy]propan-2-imine?
N-[[2-[1-(1,3-dioxolan-2-yl)-2-methoxyethenyl]phenyl]methoxy]propan-2-imine has a molecular weight of 291.35 g/mol, XLogP of 2.96, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[1-(1,3-dioxolan-2-yl)-2-methoxyethenyl]phenyl]methoxy]propan-2-imine is sourced from PubChem (CID 72599770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).