1-(formamidomethoxy)-2,3,4,9-tetrahydrocarbazole-1-carboxamide

C15H17N3O3 — CID 141493623

IUPAC1-(formamidomethoxy)-2,3,4,9-tetrahydrocarbazole-1-carboxamide
SMILESNC(=O)C1(OCNC=O)CCCc2c1[nH]c1ccccc21
InChIInChI=1S/C15H17N3O3/c16-14(20)15(21-9-17-8-19)7-3-5-11-10-4-1-2-6-12(10)18-13(11)15/h1-2,4,6,8,18H,3,5,7,9H2,(H2,16,20)(H,17,19)
InChIKeyTWLBGUCJDAZGHO-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.90
Rot. Bonds5

About 1-(formamidomethoxy)-2,3,4,9-tetrahydrocarbazole-1-carboxamide

1-(formamidomethoxy)-2,3,4,9-tetrahydrocarbazole-1-carboxamide (PubChem CID 141493623) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-(formamidomethoxy)-2,3,4,9-tetrahydrocarbazole-1-carboxamide.

Molecular Properties

Compound Name1-(formamidomethoxy)-2,3,4,9-tetrahydrocarbazole-1-carboxamide
PubChem CID141493623
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name1-(formamidomethoxy)-2,3,4,9-tetrahydrocarbazole-1-carboxamide
SMILESNC(=O)C1(OCNC=O)CCCc2c1[nH]c1ccccc21
InChIInChI=1S/C15H17N3O3/c16-14(20)15(21-9-17-8-19)7-3-5-11-10-4-1-2-6-12(10)18-13(11)15/h1-2,4,6,8,18H,3,5,7,9H2,(H2,16,20)(H,17,19)
InChIKeyTWLBGUCJDAZGHO-UHFFFAOYSA-N
XLogP0.90
TPSA97.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(formamidomethoxy)-2,3,4,9-tetrahydrocarbazole-1-carboxamide?
The IUPAC name of 1-(formamidomethoxy)-2,3,4,9-tetrahydrocarbazole-1-carboxamide (CID 141493623) is 1-(formamidomethoxy)-2,3,4,9-tetrahydrocarbazole-1-carboxamide.
What is the SMILES notation for 1-(formamidomethoxy)-2,3,4,9-tetrahydrocarbazole-1-carboxamide?
The canonical SMILES for 1-(formamidomethoxy)-2,3,4,9-tetrahydrocarbazole-1-carboxamide is NC(=O)C1(OCNC=O)CCCc2c1[nH]c1ccccc21.
What is the InChIKey of 1-(formamidomethoxy)-2,3,4,9-tetrahydrocarbazole-1-carboxamide?
The InChIKey is TWLBGUCJDAZGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c16-14(20)15(21-9-17-8-19)7-3-5-11-10-4-1-2-6-12(10)18-13(11)15/h1-2,4,6,8,18H,3,5,7,9H2,(H2,16,20)(H,17,19).
What are the key properties of 1-(formamidomethoxy)-2,3,4,9-tetrahydrocarbazole-1-carboxamide?
1-(formamidomethoxy)-2,3,4,9-tetrahydrocarbazole-1-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 0.90, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(formamidomethoxy)-2,3,4,9-tetrahydrocarbazole-1-carboxamide is sourced from PubChem (CID 141493623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).