9H-fluoren-9-ylmethyl N-[3-(3-formyl-5-methylphenyl)prop-2-enyl]carbamate

C26H23NO3 — CID 169469467

IUPAC9H-fluoren-9-ylmethyl N-[3-(3-formyl-5-methylphenyl)prop-2-enyl]carbamate
SMILESCc1cc(C=O)cc(C=CCNC(=O)OCC2c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C26H23NO3/c1-18-13-19(15-20(14-18)16-28)7-6-12-27-26(29)30-17-25-23-10-4-2-8-21(23)22-9-3-5-11-24(22)25/h2-11,13-16,25H,12,17H2,1H3,(H,27,29)
InChIKeyNHEBFJJNXWPTFG-UHFFFAOYSA-N
MW397.47 g/mol
LogP5.36
Rot. Bonds6

About 9H-fluoren-9-ylmethyl N-[3-(3-formyl-5-methylphenyl)prop-2-enyl]carbamate

9H-fluoren-9-ylmethyl N-[3-(3-formyl-5-methylphenyl)prop-2-enyl]carbamate (PubChem CID 169469467) has the molecular formula C26H23NO3 and a molecular weight of 397.47 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-(3-formyl-5-methylphenyl)prop-2-enyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[3-(3-formyl-5-methylphenyl)prop-2-enyl]carbamate
PubChem CID169469467
Molecular FormulaC26H23NO3
Molecular Weight397.47 g/mol
Exact Mass397.17
IUPAC Name9H-fluoren-9-ylmethyl N-[3-(3-formyl-5-methylphenyl)prop-2-enyl]carbamate
SMILESCc1cc(C=O)cc(C=CCNC(=O)OCC2c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C26H23NO3/c1-18-13-19(15-20(14-18)16-28)7-6-12-27-26(29)30-17-25-23-10-4-2-8-21(23)22-9-3-5-11-24(22)25/h2-11,13-16,25H,12,17H2,1H3,(H,27,29)
InChIKeyNHEBFJJNXWPTFG-UHFFFAOYSA-N
XLogP5.36
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.47
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9H-fluoren-9-ylmethyl N-[3-(3-bromo-5-methylphenyl)prop-2-enyl]carbamate
CID 169470820
9H-fluoren-9-ylmethyl N-[3-(4-methoxy-3,5-dimethylphenyl)prop-2-enyl]carbamate
CID 169469871
9H-fluoren-9-ylmethyl N-[3-(5-formyl-3-pyridinyl)prop-2-enyl]carbamate
CID 169469299
9H-fluoren-9-ylmethyl N-[3-(3-amino-4-methylphenyl)prop-2-enyl]carbamate
CID 169469269
9H-fluoren-9-ylmethyl N-[3-(4-amino-3,5-difluorophenyl)prop-2-enyl]carbamate
CID 169469613
9H-fluoren-9-ylmethyl N-[3-(2-chloro-5-formylphenyl)prop-2-enyl]carbamate
CID 169469433
9H-fluoren-9-ylmethyl N-[3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enyl]carbamate
CID 169470711
9H-fluoren-9-ylmethyl N-[3-(2-methyl-4-pyridinyl)prop-2-enyl]carbamate
CID 169469022
9H-fluoren-9-ylmethyl N-[3-(2,5-dimethylphenyl)prop-2-enyl]carbamate
CID 169469085
9H-fluoren-9-ylmethyl N-[3-[3,5-bis(trifluoromethyl)phenyl]prop-2-enyl]carbamate
CID 169470525
4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]-2-methylbenzoic acid
CID 169469831
9H-fluoren-9-ylmethyl N-[3-(2,4,5-trimethylphenyl)prop-2-enyl]carbamate
CID 169469367

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(3-formyl-5-methylphenyl)prop-2-enyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(3-formyl-5-methylphenyl)prop-2-enyl]carbamate (CID 169469467) is 9H-fluoren-9-ylmethyl N-[3-(3-formyl-5-methylphenyl)prop-2-enyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-(3-formyl-5-methylphenyl)prop-2-enyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-(3-formyl-5-methylphenyl)prop-2-enyl]carbamate is Cc1cc(C=O)cc(C=CCNC(=O)OCC2c3ccccc3-c3ccccc32)c1.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-(3-formyl-5-methylphenyl)prop-2-enyl]carbamate?
The InChIKey is NHEBFJJNXWPTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO3/c1-18-13-19(15-20(14-18)16-28)7-6-12-27-26(29)30-17-25-23-10-4-2-8-21(23)22-9-3-5-11-24(22)25/h2-11,13-16,25H,12,17H2,1H3,(H,27,29).
What are the key properties of 9H-fluoren-9-ylmethyl N-[3-(3-formyl-5-methylphenyl)prop-2-enyl]carbamate?
9H-fluoren-9-ylmethyl N-[3-(3-formyl-5-methylphenyl)prop-2-enyl]carbamate has a molecular weight of 397.47 g/mol, XLogP of 5.36, 6 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-[3-(3-formyl-5-methylphenyl)prop-2-enyl]carbamate is sourced from PubChem (CID 169469467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).