methyl (Z)-2-azido-3-(9-ethylcarbazol-3-yl)prop-2-enoate

C18H16N4O2 — CID 135029532

IUPACmethyl (Z)-2-azido-3-(9-ethylcarbazol-3-yl)prop-2-enoate
SMILESCCn1c2ccccc2c2cc(/C=C(\N=[N+]=[N-])C(=O)OC)ccc21
InChIInChI=1S/C18H16N4O2/c1-3-22-16-7-5-4-6-13(16)14-10-12(8-9-17(14)22)11-15(20-21-19)18(23)24-2/h4-11H,3H2,1-2H3/b15-11-
InChIKeyLCAQZQXXSLBJLY-PTNGSMBKSA-N
MW320.35 g/mol
LogP4.64
Rot. Bonds4

About methyl (Z)-2-azido-3-(9-ethylcarbazol-3-yl)prop-2-enoate

methyl (Z)-2-azido-3-(9-ethylcarbazol-3-yl)prop-2-enoate (PubChem CID 135029532) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is methyl (Z)-2-azido-3-(9-ethylcarbazol-3-yl)prop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-azido-3-(9-ethylcarbazol-3-yl)prop-2-enoate
PubChem CID135029532
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Namemethyl (Z)-2-azido-3-(9-ethylcarbazol-3-yl)prop-2-enoate
SMILESCCn1c2ccccc2c2cc(/C=C(\N=[N+]=[N-])C(=O)OC)ccc21
InChIInChI=1S/C18H16N4O2/c1-3-22-16-7-5-4-6-13(16)14-10-12(8-9-17(14)22)11-15(20-21-19)18(23)24-2/h4-11H,3H2,1-2H3/b15-11-
InChIKeyLCAQZQXXSLBJLY-PTNGSMBKSA-N
XLogP4.64
TPSA79.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

Vinconate
CID 68896
methyl {6-methyl-1-[(1-phenylethyl)amino]-1,2,3,4-tetrahydro-9H-carbazol-9-yl}acetate
CID 2834639
2-[3-(1-Benzyl-6-oxopyridazin-3-yl)-2,5-dimethylindol-1-yl]acetic acid
CID 57505193
(E)-3-[1-phenyl-3-(2-phenylethyl)indol-5-yl]prop-2-enoic acid
CID 59317848
ethyl (E)-3-[3-(1-methylindazol-5-yl)-4-pyridinyl]prop-2-enoate
CID 162352579
ethyl (E)-3-[3-(1-methylindol-5-yl)-4-pyridinyl]prop-2-enoate
CID 162352580
(E)-3-[3-(1-methylindol-5-yl)-4-pyridinyl]prop-2-enoic acid
CID 162352582
9-Carbethoxymethyl-3-(dimethylamino)-1,2,3,4-tetrahydrocarbazole hydrochloride
CID 12361856
(2E)-3-(9-ethyl-9H-carbazol-3-yl)prop-2-enoic acid
CID 6235514
2-(9H-Carbazol-9-yl)ethyl methacrylate
CID 1714882
2-Benzoylamino-3-(9-methyl-9H-carbazol-3-yl)-acrylic acid methyl ester
CID 1099137
(E)-3-(1-Benzyl-1H-indol-3-yl)-2-cyano-acrylic acid isobutyl ester
CID 1561895

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2-azido-3-(9-ethylcarbazol-3-yl)prop-2-enoate?
The IUPAC name of methyl (Z)-2-azido-3-(9-ethylcarbazol-3-yl)prop-2-enoate (CID 135029532) is methyl (Z)-2-azido-3-(9-ethylcarbazol-3-yl)prop-2-enoate.
What is the SMILES notation for methyl (Z)-2-azido-3-(9-ethylcarbazol-3-yl)prop-2-enoate?
The canonical SMILES for methyl (Z)-2-azido-3-(9-ethylcarbazol-3-yl)prop-2-enoate is CCn1c2ccccc2c2cc(/C=C(\N=[N+]=[N-])C(=O)OC)ccc21.
What is the InChIKey of methyl (Z)-2-azido-3-(9-ethylcarbazol-3-yl)prop-2-enoate?
The InChIKey is LCAQZQXXSLBJLY-PTNGSMBKSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-3-22-16-7-5-4-6-13(16)14-10-12(8-9-17(14)22)11-15(20-21-19)18(23)24-2/h4-11H,3H2,1-2H3/b15-11-.
What are the key properties of methyl (Z)-2-azido-3-(9-ethylcarbazol-3-yl)prop-2-enoate?
methyl (Z)-2-azido-3-(9-ethylcarbazol-3-yl)prop-2-enoate has a molecular weight of 320.35 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-azido-3-(9-ethylcarbazol-3-yl)prop-2-enoate is sourced from PubChem (CID 135029532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).