6-amino-3,4-dihydro-2H-chromene-3-carboxamide

C10H12N2O2 — CID 43209471

IUPAC6-amino-3,4-dihydro-2H-chromene-3-carboxamide
SMILESNC(=O)C1COc2ccc(N)cc2C1
InChIInChI=1S/C10H12N2O2/c11-8-1-2-9-6(4-8)3-7(5-14-9)10(12)13/h1-2,4,7H,3,5,11H2,(H2,12,13)
InChIKeyLLYYVMYKPNKHFH-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.31
Rot. Bonds1

About 6-amino-3,4-dihydro-2H-chromene-3-carboxamide

6-amino-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 43209471) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 6-amino-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name6-amino-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID43209471
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name6-amino-3,4-dihydro-2H-chromene-3-carboxamide
SMILESNC(=O)C1COc2ccc(N)cc2C1
InChIInChI=1S/C10H12N2O2/c11-8-1-2-9-6(4-8)3-7(5-14-9)10(12)13/h1-2,4,7H,3,5,11H2,(H2,12,13)
InChIKeyLLYYVMYKPNKHFH-UHFFFAOYSA-N
XLogP0.31
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 47170033
(3S)-3,4-dihydro-2H-chromene-3-carboxamide
CID 51885464
(6-amino-3,4-dihydro-2H-chromen-3-yl)methanol
CID 105438030
1-[(3R)-6-chloro-3,4-dihydro-2H-chromene-3-carbonyl]piperidine-4-carboxamide
CID 36841750
3-methoxy-3,4-dihydro-2H-chromen-6-amine
CID 105438039
N-[2-(4-aminophenyl)ethyl]-6-chloro-3,4-dihydro-2H-chromene-3-carboxamide
CID 119547491
N-[2-(4-aminophenyl)ethyl]-6-chloro-3,4-dihydro-2H-chromene-3-carboxamide;hydrochloride
CID 119547490
(3S)-6-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 7061285
ethyl 6-chloro-3,4-dihydro-2H-chromene-3-carboxylate
CID 53408410
1,2,3,5,6,7-hexahydro-s-indacene-2,6-dicarboxamide
CID 132569005
(3S)-6-chlorosulfonyl-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 98119594
methyl (3S)-6-chloro-3,4-dihydro-2H-chromene-3-carboxylate
CID 51514244

Frequently Asked Questions

What is the IUPAC name of 6-amino-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of 6-amino-3,4-dihydro-2H-chromene-3-carboxamide (CID 43209471) is 6-amino-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for 6-amino-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for 6-amino-3,4-dihydro-2H-chromene-3-carboxamide is NC(=O)C1COc2ccc(N)cc2C1.
What is the InChIKey of 6-amino-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is LLYYVMYKPNKHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c11-8-1-2-9-6(4-8)3-7(5-14-9)10(12)13/h1-2,4,7H,3,5,11H2,(H2,12,13).
What are the key properties of 6-amino-3,4-dihydro-2H-chromene-3-carboxamide?
6-amino-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 192.22 g/mol, XLogP of 0.31, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 43209471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).