N-(9H-fluoren-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide

C23H25NO — CID 17139231

IUPACN-(9H-fluoren-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
SMILESCC(C)=CC1C(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)C1(C)C
InChIInChI=1S/C23H25NO/c1-14(2)11-20-21(23(20,3)4)22(25)24-17-9-10-19-16(13-17)12-15-7-5-6-8-18(15)19/h5-11,13,20-21H,12H2,1-4H3,(H,24,25)
InChIKeyKMEMYQMBOTTYFM-UHFFFAOYSA-N
MW331.46 g/mol
LogP5.43
Rot. Bonds3

About N-(9H-fluoren-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide

N-(9H-fluoren-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide (PubChem CID 17139231) has the molecular formula C23H25NO and a molecular weight of 331.46 g/mol. Its IUPAC name is N-(9H-fluoren-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(9H-fluoren-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
PubChem CID17139231
Molecular FormulaC23H25NO
Molecular Weight331.46 g/mol
Exact Mass331.19
IUPAC NameN-(9H-fluoren-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
SMILESCC(C)=CC1C(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)C1(C)C
InChIInChI=1S/C23H25NO/c1-14(2)11-20-21(23(20,3)4)22(25)24-17-9-10-19-16(13-17)12-15-7-5-6-8-18(15)19/h5-11,13,20-21H,12H2,1-4H3,(H,24,25)
InChIKeyKMEMYQMBOTTYFM-UHFFFAOYSA-N
XLogP5.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.46
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(9H-fluoren-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(9H-fluoren-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide (CID 17139231) is N-(9H-fluoren-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(9H-fluoren-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(9H-fluoren-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide is CC(C)=CC1C(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)C1(C)C.
What is the InChIKey of N-(9H-fluoren-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The InChIKey is KMEMYQMBOTTYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO/c1-14(2)11-20-21(23(20,3)4)22(25)24-17-9-10-19-16(13-17)12-15-7-5-6-8-18(15)19/h5-11,13,20-21H,12H2,1-4H3,(H,24,25).
What are the key properties of N-(9H-fluoren-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
N-(9H-fluoren-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 5.43, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9H-fluoren-2-yl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 17139231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).