8aH-naphthalene-1-carboxamide

C11H9NO — CID 176517042

IUPAC8aH-naphthalene-1-carboxamide
SMILESNC(=O)C1=C=CC=C2C=CC=CC12
InChIInChI=1S/C11H9NO/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-6,9H,(H2,12,13)
InChIKeyBIGTXQRFDDHUSG-UHFFFAOYSA-N
MW171.20 g/mol
LogP1.24
Rot. Bonds1

About 8aH-naphthalene-1-carboxamide

8aH-naphthalene-1-carboxamide (PubChem CID 176517042) has the molecular formula C11H9NO and a molecular weight of 171.20 g/mol. Its IUPAC name is 8aH-naphthalene-1-carboxamide.

Molecular Properties

Compound Name8aH-naphthalene-1-carboxamide
PubChem CID176517042
Molecular FormulaC11H9NO
Molecular Weight171.20 g/mol
Exact Mass171.07
IUPAC Name8aH-naphthalene-1-carboxamide
SMILESNC(=O)C1=C=CC=C2C=CC=CC12
InChIInChI=1S/C11H9NO/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-6,9H,(H2,12,13)
InChIKeyBIGTXQRFDDHUSG-UHFFFAOYSA-N
XLogP1.24
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

8aH-naphthalene-1-carboxylic acid
CID 176533924
10aH-heptalen-1-one
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4aH-benzo[7]annulene;(E)-but-2-enedioic acid
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8aH-naphthalene-1-carbonitrile
CID 152748322
2,4a-dihydroisoquinolin-2-ium-4-carboxylic acid chloride
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2-chloro-3,8a-dihydro-2H-chromene-3-carboxamide
CID 164730995
ethyl 2,4a-dihydroisoquinolin-2-ium-4-carboxylate chloride
CID 110177775
1-(7aH-inden-1-yl)-1H-indene
CID 173019299
6-oxocyclohexa-2,4-diene-1-carboxylic acid
CID 53400811
12bH-benzo[a]anthracen-10-one
CID 87813275
ethyl 9aH-benzo[7]annulene-7-carboxylate;hydrobromide
CID 87175927
2-(8aH-naphthalen-1-ylidene)-3,4-dihydronaphthalen-1-one
CID 87183547

Frequently Asked Questions

What is the IUPAC name of 8aH-naphthalene-1-carboxamide?
The IUPAC name of 8aH-naphthalene-1-carboxamide (CID 176517042) is 8aH-naphthalene-1-carboxamide.
What is the SMILES notation for 8aH-naphthalene-1-carboxamide?
The canonical SMILES for 8aH-naphthalene-1-carboxamide is NC(=O)C1=C=CC=C2C=CC=CC12.
What is the InChIKey of 8aH-naphthalene-1-carboxamide?
The InChIKey is BIGTXQRFDDHUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-6,9H,(H2,12,13).
What are the key properties of 8aH-naphthalene-1-carboxamide?
8aH-naphthalene-1-carboxamide has a molecular weight of 171.20 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8aH-naphthalene-1-carboxamide is sourced from PubChem (CID 176517042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).