N-[(2',7'-dimethoxyspiro[cyclopropane-2,9'-fluorene]-1-yl)methyl]cyclopropanecarboxamide

C22H23NO3 — CID 15461744

IUPACN-[(2',7'-dimethoxyspiro[cyclopropane-2,9'-fluorene]-1-yl)methyl]cyclopropanecarboxamide
SMILESCOc1ccc2c(c1)C1(CC1CNC(=O)C1CC1)c1cc(OC)ccc1-2
InChIInChI=1S/C22H23NO3/c1-25-15-5-7-17-18-8-6-16(26-2)10-20(18)22(19(17)9-15)11-14(22)12-23-21(24)13-3-4-13/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,23,24)
InChIKeyJTSMPEHWAXIOSQ-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.52
Rot. Bonds5

About N-[(2',7'-dimethoxyspiro[cyclopropane-2,9'-fluorene]-1-yl)methyl]cyclopropanecarboxamide

N-[(2',7'-dimethoxyspiro[cyclopropane-2,9'-fluorene]-1-yl)methyl]cyclopropanecarboxamide (PubChem CID 15461744) has the molecular formula C22H23NO3 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[(2',7'-dimethoxyspiro[cyclopropane-2,9'-fluorene]-1-yl)methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(2',7'-dimethoxyspiro[cyclopropane-2,9'-fluorene]-1-yl)methyl]cyclopropanecarboxamide
PubChem CID15461744
Molecular FormulaC22H23NO3
Molecular Weight349.43 g/mol
Exact Mass349.17
IUPAC NameN-[(2',7'-dimethoxyspiro[cyclopropane-2,9'-fluorene]-1-yl)methyl]cyclopropanecarboxamide
SMILESCOc1ccc2c(c1)C1(CC1CNC(=O)C1CC1)c1cc(OC)ccc1-2
InChIInChI=1S/C22H23NO3/c1-25-15-5-7-17-18-8-6-16(26-2)10-20(18)22(19(17)9-15)11-14(22)12-23-21(24)13-3-4-13/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,23,24)
InChIKeyJTSMPEHWAXIOSQ-UHFFFAOYSA-N
XLogP3.52
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2',7'-dimethoxyspiro[cyclopropane-2,9'-fluorene]-1-yl)methyl]cyclopropanecarboxamide?
The IUPAC name of N-[(2',7'-dimethoxyspiro[cyclopropane-2,9'-fluorene]-1-yl)methyl]cyclopropanecarboxamide (CID 15461744) is N-[(2',7'-dimethoxyspiro[cyclopropane-2,9'-fluorene]-1-yl)methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(2',7'-dimethoxyspiro[cyclopropane-2,9'-fluorene]-1-yl)methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(2',7'-dimethoxyspiro[cyclopropane-2,9'-fluorene]-1-yl)methyl]cyclopropanecarboxamide is COc1ccc2c(c1)C1(CC1CNC(=O)C1CC1)c1cc(OC)ccc1-2.
What is the InChIKey of N-[(2',7'-dimethoxyspiro[cyclopropane-2,9'-fluorene]-1-yl)methyl]cyclopropanecarboxamide?
The InChIKey is JTSMPEHWAXIOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3/c1-25-15-5-7-17-18-8-6-16(26-2)10-20(18)22(19(17)9-15)11-14(22)12-23-21(24)13-3-4-13/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,23,24).
What are the key properties of N-[(2',7'-dimethoxyspiro[cyclopropane-2,9'-fluorene]-1-yl)methyl]cyclopropanecarboxamide?
N-[(2',7'-dimethoxyspiro[cyclopropane-2,9'-fluorene]-1-yl)methyl]cyclopropanecarboxamide has a molecular weight of 349.43 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2',7'-dimethoxyspiro[cyclopropane-2,9'-fluorene]-1-yl)methyl]cyclopropanecarboxamide is sourced from PubChem (CID 15461744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).