4-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)spiro[5,7,8,9-tetrahydrocarbazole-6,1'-cyclopropane]-1-carboxamide

C23H25N3O2 — CID 156888459

IUPAC4-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)spiro[5,7,8,9-tetrahydrocarbazole-6,1'-cyclopropane]-1-carboxamide
SMILESC=CC(=O)N1CCC=C(c2ccc(C(N)=O)c3[nH]c4c(c23)CC2(CC4)CC2)C1
InChIInChI=1S/C23H25N3O2/c1-2-19(27)26-11-3-4-14(13-26)15-5-6-16(22(24)28)21-20(15)17-12-23(9-10-23)8-7-18(17)25-21/h2,4-6,25H,1,3,7-13H2,(H2,24,28)
InChIKeyIHOUNOCMMWOFLA-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.34
Rot. Bonds3

About 4-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)spiro[5,7,8,9-tetrahydrocarbazole-6,1'-cyclopropane]-1-carboxamide

4-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)spiro[5,7,8,9-tetrahydrocarbazole-6,1'-cyclopropane]-1-carboxamide (PubChem CID 156888459) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 4-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)spiro[5,7,8,9-tetrahydrocarbazole-6,1'-cyclopropane]-1-carboxamide.

Molecular Properties

Compound Name4-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)spiro[5,7,8,9-tetrahydrocarbazole-6,1'-cyclopropane]-1-carboxamide
PubChem CID156888459
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name4-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)spiro[5,7,8,9-tetrahydrocarbazole-6,1'-cyclopropane]-1-carboxamide
SMILESC=CC(=O)N1CCC=C(c2ccc(C(N)=O)c3[nH]c4c(c23)CC2(CC4)CC2)C1
InChIInChI=1S/C23H25N3O2/c1-2-19(27)26-11-3-4-14(13-26)15-5-6-16(22(24)28)21-20(15)17-12-23(9-10-23)8-7-18(17)25-21/h2,4-6,25H,1,3,7-13H2,(H2,24,28)
InChIKeyIHOUNOCMMWOFLA-UHFFFAOYSA-N
XLogP3.34
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)spiro[5,7,8,9-tetrahydrocarbazole-6,1'-cyclopropane]-1-carboxamide?
The IUPAC name of 4-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)spiro[5,7,8,9-tetrahydrocarbazole-6,1'-cyclopropane]-1-carboxamide (CID 156888459) is 4-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)spiro[5,7,8,9-tetrahydrocarbazole-6,1'-cyclopropane]-1-carboxamide.
What is the SMILES notation for 4-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)spiro[5,7,8,9-tetrahydrocarbazole-6,1'-cyclopropane]-1-carboxamide?
The canonical SMILES for 4-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)spiro[5,7,8,9-tetrahydrocarbazole-6,1'-cyclopropane]-1-carboxamide is C=CC(=O)N1CCC=C(c2ccc(C(N)=O)c3[nH]c4c(c23)CC2(CC4)CC2)C1.
What is the InChIKey of 4-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)spiro[5,7,8,9-tetrahydrocarbazole-6,1'-cyclopropane]-1-carboxamide?
The InChIKey is IHOUNOCMMWOFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-2-19(27)26-11-3-4-14(13-26)15-5-6-16(22(24)28)21-20(15)17-12-23(9-10-23)8-7-18(17)25-21/h2,4-6,25H,1,3,7-13H2,(H2,24,28).
What are the key properties of 4-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)spiro[5,7,8,9-tetrahydrocarbazole-6,1'-cyclopropane]-1-carboxamide?
4-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)spiro[5,7,8,9-tetrahydrocarbazole-6,1'-cyclopropane]-1-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-prop-2-enoyl-3,6-dihydro-2H-pyridin-5-yl)spiro[5,7,8,9-tetrahydrocarbazole-6,1'-cyclopropane]-1-carboxamide is sourced from PubChem (CID 156888459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).