9H-fluoren-9-ylmethyl N-[4-[(E)-2-cyanoethenyl]phenyl]carbamate

C24H18N2O2 — CID 148733041

IUPAC9H-fluoren-9-ylmethyl N-[4-[(E)-2-cyanoethenyl]phenyl]carbamate
SMILESN#C/C=C/c1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C24H18N2O2/c25-15-5-6-17-11-13-18(14-12-17)26-24(27)28-16-23-21-9-3-1-7-19(21)20-8-2-4-10-22(20)23/h1-14,23H,16H2,(H,26,27)/b6-5+
InChIKeyOBIVNBGTCUHKJP-AATRIKPKSA-N
MW366.42 g/mol
LogP5.58
Rot. Bonds4

About 9H-fluoren-9-ylmethyl N-[4-[(E)-2-cyanoethenyl]phenyl]carbamate

9H-fluoren-9-ylmethyl N-[4-[(E)-2-cyanoethenyl]phenyl]carbamate (PubChem CID 148733041) has the molecular formula C24H18N2O2 and a molecular weight of 366.42 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[4-[(E)-2-cyanoethenyl]phenyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[4-[(E)-2-cyanoethenyl]phenyl]carbamate
PubChem CID148733041
Molecular FormulaC24H18N2O2
Molecular Weight366.42 g/mol
Exact Mass366.14
IUPAC Name9H-fluoren-9-ylmethyl N-[4-[(E)-2-cyanoethenyl]phenyl]carbamate
SMILESN#C/C=C/c1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C24H18N2O2/c25-15-5-6-17-11-13-18(14-12-17)26-24(27)28-16-23-21-9-3-1-7-19(21)20-8-2-4-10-22(20)23/h1-14,23H,16H2,(H,26,27)/b6-5+
InChIKeyOBIVNBGTCUHKJP-AATRIKPKSA-N
XLogP5.58
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.42
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

9H-fluoren-9-ylmethyl N-(4-aminophenyl)carbamate
CID 11450338
9H-fluoren-9-ylmethyl N-(4-chlorophenyl)carbamate
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9H-fluoren-9-ylmethyl N-(4-nitrophenyl)carbamate
CID 14482307
9H-fluoren-9-ylmethyl N-[4-(1-aminocyclopropyl)phenyl]carbamate
CID 175653920
9H-fluoren-9-ylmethyl N-[3-[4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169469145
9H-fluoren-9-ylmethyl N-[4-[(2-methylpropan-2-yl)oxycarbamoyl]phenyl]carbamate
CID 141231011
9H-fluoren-9-ylmethyl N-[4-[4-(3-oxobutanoylamino)phenyl]but-3-enyl]carbamate
CID 170493193
(E)-3-[4-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoyl]amino]phenyl]prop-2-enoic acid
CID 69231916
9H-fluoren-9-ylmethyl N-[4-(tert-butylcarbamoyl)phenyl]carbamate
CID 90337303
9H-fluoren-9-ylmethyl N-[4-(cyclohexylcarbamoylamino)phenyl]carbamate
CID 45112398
(E)-3-[4-(4-acetamidophenyl)phenyl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)prop-2-enoic acid
CID 169217774
9H-fluoren-9-ylmethyl N-[3-(3-amino-2-cyanophenyl)prop-2-enyl]carbamate
CID 169469509

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[4-[(E)-2-cyanoethenyl]phenyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[4-[(E)-2-cyanoethenyl]phenyl]carbamate (CID 148733041) is 9H-fluoren-9-ylmethyl N-[4-[(E)-2-cyanoethenyl]phenyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[4-[(E)-2-cyanoethenyl]phenyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[4-[(E)-2-cyanoethenyl]phenyl]carbamate is N#C/C=C/c1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[4-[(E)-2-cyanoethenyl]phenyl]carbamate?
The InChIKey is OBIVNBGTCUHKJP-AATRIKPKSA-N. The full InChI is InChI=1S/C24H18N2O2/c25-15-5-6-17-11-13-18(14-12-17)26-24(27)28-16-23-21-9-3-1-7-19(21)20-8-2-4-10-22(20)23/h1-14,23H,16H2,(H,26,27)/b6-5+.
What are the key properties of 9H-fluoren-9-ylmethyl N-[4-[(E)-2-cyanoethenyl]phenyl]carbamate?
9H-fluoren-9-ylmethyl N-[4-[(E)-2-cyanoethenyl]phenyl]carbamate has a molecular weight of 366.42 g/mol, XLogP of 5.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[4-[(E)-2-cyanoethenyl]phenyl]carbamate is sourced from PubChem (CID 148733041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).