(Z,3Z)-3-[6-methylidene-3-(1-phenylmethoxyethenyl)cyclohexa-2,4-dien-1-ylidene]-N-oxidoprop-1-en-1-amine

C19H18NO2- — CID 143092593

IUPAC(Z,3Z)-3-[6-methylidene-3-(1-phenylmethoxyethenyl)cyclohexa-2,4-dien-1-ylidene]-N-oxidoprop-1-en-1-amine
SMILESC=C(OCc1ccccc1)c1ccc(=C)/c(=C\C=C/N[O-])c1
InChIInChI=1S/C19H18NO2/c1-15-10-11-19(13-18(15)9-6-12-20-21)16(2)22-14-17-7-4-3-5-8-17/h3-13,20H,1-2,14H2/q-1/b12-6-,18-9-
InChIKeyXNKYFYVNVHBAPQ-HQCJMGMUSA-N
MW292.36 g/mol
LogP2.67
Rot. Bonds6

About (Z,3Z)-3-[6-methylidene-3-(1-phenylmethoxyethenyl)cyclohexa-2,4-dien-1-ylidene]-N-oxidoprop-1-en-1-amine

(Z,3Z)-3-[6-methylidene-3-(1-phenylmethoxyethenyl)cyclohexa-2,4-dien-1-ylidene]-N-oxidoprop-1-en-1-amine (PubChem CID 143092593) has the molecular formula C19H18NO2- and a molecular weight of 292.36 g/mol. Its IUPAC name is (Z,3Z)-3-[6-methylidene-3-(1-phenylmethoxyethenyl)cyclohexa-2,4-dien-1-ylidene]-N-oxidoprop-1-en-1-amine.

Molecular Properties

Compound Name(Z,3Z)-3-[6-methylidene-3-(1-phenylmethoxyethenyl)cyclohexa-2,4-dien-1-ylidene]-N-oxidoprop-1-en-1-amine
PubChem CID143092593
Molecular FormulaC19H18NO2-
Molecular Weight292.36 g/mol
Exact Mass292.13
IUPAC Name(Z,3Z)-3-[6-methylidene-3-(1-phenylmethoxyethenyl)cyclohexa-2,4-dien-1-ylidene]-N-oxidoprop-1-en-1-amine
SMILESC=C(OCc1ccccc1)c1ccc(=C)/c(=C\C=C/N[O-])c1
InChIInChI=1S/C19H18NO2/c1-15-10-11-19(13-18(15)9-6-12-20-21)16(2)22-14-17-7-4-3-5-8-17/h3-13,20H,1-2,14H2/q-1/b12-6-,18-9-
InChIKeyXNKYFYVNVHBAPQ-HQCJMGMUSA-N
XLogP2.67
TPSA44.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(chloromethyl)-3-(1-phenylmethoxyethenyl)benzene
CID 21253623
1-phenylethenoxymethylbenzene;tetrabromomethane
CID 174884252
lithium 1-phenylmethoxyethenolate
CID 23696401
benzyl hydrogen carbonate;prop-2-enoic acid
CID 68849942
2-phenylmethoxyprop-2-enoic acid
CID 14954752
1-(3-methylidenecyclobutyl)ethenoxymethylbenzene
CID 169213404
benzyl N-(2-aminoprop-2-enyl)carbamate
CID 146420722
4-methylpenta-1,3-dien-2-yloxymethylbenzene
CID 143601127
[(3E)-2-phenylmethoxypenta-1,3-dien-3-yl]oxymethylbenzene
CID 134286025
benzyl 2-methylprop-2-enoate;benzyl prop-2-enoate;2-methylprop-2-enoic acid;prop-2-enoic acid
CID 158940006
4-[(Z)-1-phenylmethoxybut-1-enyl]aniline
CID 144763073
benzyl N-methylprop-2-enimidate
CID 123917828

Frequently Asked Questions

What is the IUPAC name of (Z,3Z)-3-[6-methylidene-3-(1-phenylmethoxyethenyl)cyclohexa-2,4-dien-1-ylidene]-N-oxidoprop-1-en-1-amine?
The IUPAC name of (Z,3Z)-3-[6-methylidene-3-(1-phenylmethoxyethenyl)cyclohexa-2,4-dien-1-ylidene]-N-oxidoprop-1-en-1-amine (CID 143092593) is (Z,3Z)-3-[6-methylidene-3-(1-phenylmethoxyethenyl)cyclohexa-2,4-dien-1-ylidene]-N-oxidoprop-1-en-1-amine.
What is the SMILES notation for (Z,3Z)-3-[6-methylidene-3-(1-phenylmethoxyethenyl)cyclohexa-2,4-dien-1-ylidene]-N-oxidoprop-1-en-1-amine?
The canonical SMILES for (Z,3Z)-3-[6-methylidene-3-(1-phenylmethoxyethenyl)cyclohexa-2,4-dien-1-ylidene]-N-oxidoprop-1-en-1-amine is C=C(OCc1ccccc1)c1ccc(=C)/c(=C\C=C/N[O-])c1.
What is the InChIKey of (Z,3Z)-3-[6-methylidene-3-(1-phenylmethoxyethenyl)cyclohexa-2,4-dien-1-ylidene]-N-oxidoprop-1-en-1-amine?
The InChIKey is XNKYFYVNVHBAPQ-HQCJMGMUSA-N. The full InChI is InChI=1S/C19H18NO2/c1-15-10-11-19(13-18(15)9-6-12-20-21)16(2)22-14-17-7-4-3-5-8-17/h3-13,20H,1-2,14H2/q-1/b12-6-,18-9-.
What are the key properties of (Z,3Z)-3-[6-methylidene-3-(1-phenylmethoxyethenyl)cyclohexa-2,4-dien-1-ylidene]-N-oxidoprop-1-en-1-amine?
(Z,3Z)-3-[6-methylidene-3-(1-phenylmethoxyethenyl)cyclohexa-2,4-dien-1-ylidene]-N-oxidoprop-1-en-1-amine has a molecular weight of 292.36 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3Z)-3-[6-methylidene-3-(1-phenylmethoxyethenyl)cyclohexa-2,4-dien-1-ylidene]-N-oxidoprop-1-en-1-amine is sourced from PubChem (CID 143092593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).