9H-fluoren-9-yl N-but-3-en-2-ylcarbamate

C18H17NO2 — CID 175278848

IUPAC9H-fluoren-9-yl N-but-3-en-2-ylcarbamate
SMILESC=CC(C)NC(=O)OC1c2ccccc2-c2ccccc21
InChIInChI=1S/C18H17NO2/c1-3-12(2)19-18(20)21-17-15-10-6-4-8-13(15)14-9-5-7-11-16(14)17/h3-12,17H,1H2,2H3,(H,19,20)
InChIKeyWMNOUOIIXOWZCG-UHFFFAOYSA-N
MW279.34 g/mol
LogP4.06
Rot. Bonds3

About 9H-fluoren-9-yl N-but-3-en-2-ylcarbamate

9H-fluoren-9-yl N-but-3-en-2-ylcarbamate (PubChem CID 175278848) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 9H-fluoren-9-yl N-but-3-en-2-ylcarbamate.

Molecular Properties

Compound Name9H-fluoren-9-yl N-but-3-en-2-ylcarbamate
PubChem CID175278848
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name9H-fluoren-9-yl N-but-3-en-2-ylcarbamate
SMILESC=CC(C)NC(=O)OC1c2ccccc2-c2ccccc21
InChIInChI=1S/C18H17NO2/c1-3-12(2)19-18(20)21-17-15-10-6-4-8-13(15)14-9-5-7-11-16(14)17/h3-12,17H,1H2,2H3,(H,19,20)
InChIKeyWMNOUOIIXOWZCG-UHFFFAOYSA-N
XLogP4.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(9H-fluoren-9-yloxycarbonylamino)-2-(1-methylcyclohexyl)acetic acid
CID 168751618
9H-fluoren-9-yl N-[(2S)-2-hydroxy-3,3-dimethylbutyl]carbamate
CID 132580669
4-(9H-fluoren-9-yloxycarbonyl)-2-methylpenta-2,4-dienoic acid
CID 175370166
ethane;2-(9H-fluoren-9-yloxycarbonylamino)benzoic acid;methane
CID 159037890
9H-fluoren-9-yl (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 8926526
9H-fluoren-9-yl N-amino-N-methylcarbamate
CID 100991208
but-3-en-2-ylcarbamoyl acetate
CID 167041603
CID 101120722
CID 101120722
9H-fluoren-9-ylmethyl N-(1-methoxy-2-methylpropyl)carbamate
CID 102466963
methyl 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoate
CID 23541145
ethane;ethenol;9-ethyl-9H-fluorene
CID 142934939
9H-fluoren-9-yl propyl carbonate
CID 175604366

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-yl N-but-3-en-2-ylcarbamate?
The IUPAC name of 9H-fluoren-9-yl N-but-3-en-2-ylcarbamate (CID 175278848) is 9H-fluoren-9-yl N-but-3-en-2-ylcarbamate.
What is the SMILES notation for 9H-fluoren-9-yl N-but-3-en-2-ylcarbamate?
The canonical SMILES for 9H-fluoren-9-yl N-but-3-en-2-ylcarbamate is C=CC(C)NC(=O)OC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-yl N-but-3-en-2-ylcarbamate?
The InChIKey is WMNOUOIIXOWZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-3-12(2)19-18(20)21-17-15-10-6-4-8-13(15)14-9-5-7-11-16(14)17/h3-12,17H,1H2,2H3,(H,19,20).
What are the key properties of 9H-fluoren-9-yl N-but-3-en-2-ylcarbamate?
9H-fluoren-9-yl N-but-3-en-2-ylcarbamate has a molecular weight of 279.34 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-yl N-but-3-en-2-ylcarbamate is sourced from PubChem (CID 175278848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).