2-chloro-3,8a-dihydro-2H-chromene-3-carboxamide

C10H10ClNO2 — CID 164730995

IUPAC2-chloro-3,8a-dihydro-2H-chromene-3-carboxamide
SMILESNC(=O)C1C=C2C=CC=CC2OC1Cl
InChIInChI=1S/C10H10ClNO2/c11-9-7(10(12)13)5-6-3-1-2-4-8(6)14-9/h1-5,7-9H,(H2,12,13)
InChIKeyJMTJYBMTGJDKHF-UHFFFAOYSA-N
MW211.65 g/mol
LogP1.10
Rot. Bonds1

About 2-chloro-3,8a-dihydro-2H-chromene-3-carboxamide

2-chloro-3,8a-dihydro-2H-chromene-3-carboxamide (PubChem CID 164730995) has the molecular formula C10H10ClNO2 and a molecular weight of 211.65 g/mol. Its IUPAC name is 2-chloro-3,8a-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name2-chloro-3,8a-dihydro-2H-chromene-3-carboxamide
PubChem CID164730995
Molecular FormulaC10H10ClNO2
Molecular Weight211.65 g/mol
Exact Mass211.04
IUPAC Name2-chloro-3,8a-dihydro-2H-chromene-3-carboxamide
SMILESNC(=O)C1C=C2C=CC=CC2OC1Cl
InChIInChI=1S/C10H10ClNO2/c11-9-7(10(12)13)5-6-3-1-2-4-8(6)14-9/h1-5,7-9H,(H2,12,13)
InChIKeyJMTJYBMTGJDKHF-UHFFFAOYSA-N
XLogP1.10
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3,8a-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of 2-chloro-3,8a-dihydro-2H-chromene-3-carboxamide (CID 164730995) is 2-chloro-3,8a-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for 2-chloro-3,8a-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for 2-chloro-3,8a-dihydro-2H-chromene-3-carboxamide is NC(=O)C1C=C2C=CC=CC2OC1Cl.
What is the InChIKey of 2-chloro-3,8a-dihydro-2H-chromene-3-carboxamide?
The InChIKey is JMTJYBMTGJDKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO2/c11-9-7(10(12)13)5-6-3-1-2-4-8(6)14-9/h1-5,7-9H,(H2,12,13).
What are the key properties of 2-chloro-3,8a-dihydro-2H-chromene-3-carboxamide?
2-chloro-3,8a-dihydro-2H-chromene-3-carboxamide has a molecular weight of 211.65 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3,8a-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 164730995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).