N-(2,3-diethyl-9H-fluoren-1-yl)prop-2-enamide

C20H21NO — CID 151617636

IUPACN-(2,3-diethyl-9H-fluoren-1-yl)prop-2-enamide
SMILESC=CC(=O)Nc1c(CC)c(CC)cc2c1Cc1ccccc1-2
InChIInChI=1S/C20H21NO/c1-4-13-11-17-16-10-8-7-9-14(16)12-18(17)20(15(13)5-2)21-19(22)6-3/h6-11H,3-5,12H2,1-2H3,(H,21,22)
InChIKeyQNVVLXRJBUHOTD-UHFFFAOYSA-N
MW291.39 g/mol
LogP4.51
Rot. Bonds4

About N-(2,3-diethyl-9H-fluoren-1-yl)prop-2-enamide

N-(2,3-diethyl-9H-fluoren-1-yl)prop-2-enamide (PubChem CID 151617636) has the molecular formula C20H21NO and a molecular weight of 291.39 g/mol. Its IUPAC name is N-(2,3-diethyl-9H-fluoren-1-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(2,3-diethyl-9H-fluoren-1-yl)prop-2-enamide
PubChem CID151617636
Molecular FormulaC20H21NO
Molecular Weight291.39 g/mol
Exact Mass291.16
IUPAC NameN-(2,3-diethyl-9H-fluoren-1-yl)prop-2-enamide
SMILESC=CC(=O)Nc1c(CC)c(CC)cc2c1Cc1ccccc1-2
InChIInChI=1S/C20H21NO/c1-4-13-11-17-16-10-8-7-9-14(16)12-18(17)20(15(13)5-2)21-19(22)6-3/h6-11H,3-5,12H2,1-2H3,(H,21,22)
InChIKeyQNVVLXRJBUHOTD-UHFFFAOYSA-N
XLogP4.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2,3-diethyl-9H-fluoren-1-yl)boronic acid
CID 141433913
1-ethyl-9H-fluorene;prop-2-enoic acid
CID 175512160
2-(1-ethyl-9H-fluoren-2-yl)acetic acid
CID 158650084
1,2-diethyl-9H-fluorene
CID 23440471
1-ethenyl-2-ethyl-9H-fluorene
CID 158586423
bis(9H-fluorene);bis(prop-2-enoic acid)
CID 175756220
9H-fluorene;bis(prop-2-enoic acid)
CID 159231151
ethane;1-ethyl-9H-fluorene;propane
CID 167686584
1-prop-2-enyl-9H-fluorene-2,3-dicarboxylic acid
CID 139570537
1,2,3-tributyl-9H-fluorene
CID 90984374
N-(9H-fluoren-1-yl)-N-propylprop-2-enamide
CID 150861275
5-ethenyl-3-ethyl-2-(9H-fluoren-1-yl)pyridine
CID 151429298

Frequently Asked Questions

What is the IUPAC name of N-(2,3-diethyl-9H-fluoren-1-yl)prop-2-enamide?
The IUPAC name of N-(2,3-diethyl-9H-fluoren-1-yl)prop-2-enamide (CID 151617636) is N-(2,3-diethyl-9H-fluoren-1-yl)prop-2-enamide.
What is the SMILES notation for N-(2,3-diethyl-9H-fluoren-1-yl)prop-2-enamide?
The canonical SMILES for N-(2,3-diethyl-9H-fluoren-1-yl)prop-2-enamide is C=CC(=O)Nc1c(CC)c(CC)cc2c1Cc1ccccc1-2.
What is the InChIKey of N-(2,3-diethyl-9H-fluoren-1-yl)prop-2-enamide?
The InChIKey is QNVVLXRJBUHOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO/c1-4-13-11-17-16-10-8-7-9-14(16)12-18(17)20(15(13)5-2)21-19(22)6-3/h6-11H,3-5,12H2,1-2H3,(H,21,22).
What are the key properties of N-(2,3-diethyl-9H-fluoren-1-yl)prop-2-enamide?
N-(2,3-diethyl-9H-fluoren-1-yl)prop-2-enamide has a molecular weight of 291.39 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-diethyl-9H-fluoren-1-yl)prop-2-enamide is sourced from PubChem (CID 151617636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).