9H-fluoren-9-ylmethyl N-[3-(4-cyano-2-methoxyphenyl)prop-2-enyl]carbamate

C26H22N2O3 — CID 169470837

IUPAC9H-fluoren-9-ylmethyl N-[3-(4-cyano-2-methoxyphenyl)prop-2-enyl]carbamate
SMILESCOc1cc(C#N)ccc1C=CCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H22N2O3/c1-30-25-15-18(16-27)12-13-19(25)7-6-14-28-26(29)31-17-24-22-10-4-2-8-20(22)21-9-3-5-11-23(21)24/h2-13,15,24H,14,17H2,1H3,(H,28,29)
InChIKeyNFNQWKWFCJDCGW-UHFFFAOYSA-N
MW410.47 g/mol
LogP5.12
Rot. Bonds6

About 9H-fluoren-9-ylmethyl N-[3-(4-cyano-2-methoxyphenyl)prop-2-enyl]carbamate

9H-fluoren-9-ylmethyl N-[3-(4-cyano-2-methoxyphenyl)prop-2-enyl]carbamate (PubChem CID 169470837) has the molecular formula C26H22N2O3 and a molecular weight of 410.47 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-(4-cyano-2-methoxyphenyl)prop-2-enyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[3-(4-cyano-2-methoxyphenyl)prop-2-enyl]carbamate
PubChem CID169470837
Molecular FormulaC26H22N2O3
Molecular Weight410.47 g/mol
Exact Mass410.16
IUPAC Name9H-fluoren-9-ylmethyl N-[3-(4-cyano-2-methoxyphenyl)prop-2-enyl]carbamate
SMILESCOc1cc(C#N)ccc1C=CCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H22N2O3/c1-30-25-15-18(16-27)12-13-19(25)7-6-14-28-26(29)31-17-24-22-10-4-2-8-20(22)21-9-3-5-11-23(21)24/h2-13,15,24H,14,17H2,1H3,(H,28,29)
InChIKeyNFNQWKWFCJDCGW-UHFFFAOYSA-N
XLogP5.12
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.47
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9H-fluoren-9-ylmethyl N-[3-(2,3,4-trimethoxyphenyl)prop-2-enyl]carbamate
CID 169470816
9H-fluoren-9-ylmethyl N-[3-(5-acetyl-2-methoxyphenyl)prop-2-enyl]carbamate
CID 169470090
9H-fluoren-9-ylmethyl N-[3-(2,4,5-trimethylphenyl)prop-2-enyl]carbamate
CID 169469367
9H-fluoren-9-ylmethyl N-[3-(2-chloro-4-methoxyphenyl)prop-2-enyl]carbamate
CID 169469405
9H-fluoren-9-ylmethyl N-[3-(2-cyano-4,5-difluorophenyl)prop-2-enyl]carbamate
CID 169469951
9H-fluoren-9-ylmethyl N-[3-(2-cyano-4-fluorophenyl)prop-2-enyl]carbamate
CID 169469568
9H-fluoren-9-ylmethyl N-[3-(4-hydroxy-2-methylphenyl)prop-2-enyl]carbamate
CID 169469151
9H-fluoren-9-ylmethyl N-[4-(4-amino-2-methoxyphenyl)but-3-enyl]carbamate
CID 170492355
9H-fluoren-9-ylmethyl N-[3-(6-methoxy-2-methyl-3-pyridinyl)prop-2-enyl]carbamate
CID 169469647
9H-fluoren-9-ylmethyl N-[4-(4-formyl-3-methoxyphenyl)but-3-ynyl]carbamate
CID 170461022
9H-fluoren-9-ylmethyl N-[3-(2-amino-3,5-dichlorophenyl)prop-2-enyl]carbamate
CID 169469598
9H-fluoren-9-ylmethyl N-[3-(2-aminophenyl)prop-2-enyl]carbamate
CID 169469017

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(4-cyano-2-methoxyphenyl)prop-2-enyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(4-cyano-2-methoxyphenyl)prop-2-enyl]carbamate (CID 169470837) is 9H-fluoren-9-ylmethyl N-[3-(4-cyano-2-methoxyphenyl)prop-2-enyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-(4-cyano-2-methoxyphenyl)prop-2-enyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-(4-cyano-2-methoxyphenyl)prop-2-enyl]carbamate is COc1cc(C#N)ccc1C=CCNC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-(4-cyano-2-methoxyphenyl)prop-2-enyl]carbamate?
The InChIKey is NFNQWKWFCJDCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O3/c1-30-25-15-18(16-27)12-13-19(25)7-6-14-28-26(29)31-17-24-22-10-4-2-8-20(22)21-9-3-5-11-23(21)24/h2-13,15,24H,14,17H2,1H3,(H,28,29).
What are the key properties of 9H-fluoren-9-ylmethyl N-[3-(4-cyano-2-methoxyphenyl)prop-2-enyl]carbamate?
9H-fluoren-9-ylmethyl N-[3-(4-cyano-2-methoxyphenyl)prop-2-enyl]carbamate has a molecular weight of 410.47 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[3-(4-cyano-2-methoxyphenyl)prop-2-enyl]carbamate is sourced from PubChem (CID 169470837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).