(2Z)-2-(2,3,4,9-tetrahydropyrido[3,4-b]indol-1-ylidene)propanamide

C14H15N3O — CID 24852329

IUPAC(2Z)-2-(2,3,4,9-tetrahydropyrido[3,4-b]indol-1-ylidene)propanamide
SMILESC/C(C(N)=O)=C1/NCCc2c1[nH]c1ccccc21
InChIInChI=1S/C14H15N3O/c1-8(14(15)18)12-13-10(6-7-16-12)9-4-2-3-5-11(9)17-13/h2-5,16-17H,6-7H2,1H3,(H2,15,18)/b12-8-
InChIKeyICCMFBSRMVPFKO-WQLSENKSSA-N
MW241.29 g/mol
LogP1.53
Rot. Bonds1

About (2Z)-2-(2,3,4,9-tetrahydropyrido[3,4-b]indol-1-ylidene)propanamide

(2Z)-2-(2,3,4,9-tetrahydropyrido[3,4-b]indol-1-ylidene)propanamide (PubChem CID 24852329) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is (2Z)-2-(2,3,4,9-tetrahydropyrido[3,4-b]indol-1-ylidene)propanamide.

Molecular Properties

Compound Name(2Z)-2-(2,3,4,9-tetrahydropyrido[3,4-b]indol-1-ylidene)propanamide
PubChem CID24852329
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name(2Z)-2-(2,3,4,9-tetrahydropyrido[3,4-b]indol-1-ylidene)propanamide
SMILESC/C(C(N)=O)=C1/NCCc2c1[nH]c1ccccc21
InChIInChI=1S/C14H15N3O/c1-8(14(15)18)12-13-10(6-7-16-12)9-4-2-3-5-11(9)17-13/h2-5,16-17H,6-7H2,1H3,(H2,15,18)/b12-8-
InChIKeyICCMFBSRMVPFKO-WQLSENKSSA-N
XLogP1.53
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-2-(6-methoxy-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-ylidene)-2-phenylacetamide
CID 24852332
(1R)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxamide
CID 697981
1,2,3,4,5,6-hexahydroazepino[4,5-b]indole-5-carboxamide
CID 66641029
ethane;2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 158166358
methyl 4-oxo-2,3,5,6-tetrahydro-1H-azepino[4,5-b]indole-5-carboxylate
CID 14218278
2-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)acetamide
CID 86001661
[(E)-2,3,4,9-tetrahydrocarbazol-1-ylideneamino] acetate
CID 135400453
ethyl (1S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxylate
CID 92857663
propan-2-yl 1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate
CID 25223167
1-methyl-4,9-dihydro-3H-pyrano[3,4-b]indole-1-carboxamide
CID 12708178
1,2,3,4,5,6-hexahydroazepino[4,5-b]indole-5-carboxylic acid
CID 19868835
methyl (5S)-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole-5-carboxylate
CID 71768206

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(2,3,4,9-tetrahydropyrido[3,4-b]indol-1-ylidene)propanamide?
The IUPAC name of (2Z)-2-(2,3,4,9-tetrahydropyrido[3,4-b]indol-1-ylidene)propanamide (CID 24852329) is (2Z)-2-(2,3,4,9-tetrahydropyrido[3,4-b]indol-1-ylidene)propanamide.
What is the SMILES notation for (2Z)-2-(2,3,4,9-tetrahydropyrido[3,4-b]indol-1-ylidene)propanamide?
The canonical SMILES for (2Z)-2-(2,3,4,9-tetrahydropyrido[3,4-b]indol-1-ylidene)propanamide is C/C(C(N)=O)=C1/NCCc2c1[nH]c1ccccc21.
What is the InChIKey of (2Z)-2-(2,3,4,9-tetrahydropyrido[3,4-b]indol-1-ylidene)propanamide?
The InChIKey is ICCMFBSRMVPFKO-WQLSENKSSA-N. The full InChI is InChI=1S/C14H15N3O/c1-8(14(15)18)12-13-10(6-7-16-12)9-4-2-3-5-11(9)17-13/h2-5,16-17H,6-7H2,1H3,(H2,15,18)/b12-8-.
What are the key properties of (2Z)-2-(2,3,4,9-tetrahydropyrido[3,4-b]indol-1-ylidene)propanamide?
(2Z)-2-(2,3,4,9-tetrahydropyrido[3,4-b]indol-1-ylidene)propanamide has a molecular weight of 241.29 g/mol, XLogP of 1.53, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(2,3,4,9-tetrahydropyrido[3,4-b]indol-1-ylidene)propanamide is sourced from PubChem (CID 24852329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).