(3-acetamido-1,2,4,9-tetrahydrocarbazol-3-yl) formate

C15H16N2O3 — CID 91386996

IUPAC(3-acetamido-1,2,4,9-tetrahydrocarbazol-3-yl) formate
SMILESCC(=O)NC1(OC=O)CCc2[nH]c3ccccc3c2C1
InChIInChI=1S/C15H16N2O3/c1-10(19)17-15(20-9-18)7-6-14-12(8-15)11-4-2-3-5-13(11)16-14/h2-5,9,16H,6-8H2,1H3,(H,17,19)
InChIKeyODHSALAKABTSEC-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.66
Rot. Bonds3

About (3-acetamido-1,2,4,9-tetrahydrocarbazol-3-yl) formate

(3-acetamido-1,2,4,9-tetrahydrocarbazol-3-yl) formate (PubChem CID 91386996) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is (3-acetamido-1,2,4,9-tetrahydrocarbazol-3-yl) formate.

Molecular Properties

Compound Name(3-acetamido-1,2,4,9-tetrahydrocarbazol-3-yl) formate
PubChem CID91386996
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name(3-acetamido-1,2,4,9-tetrahydrocarbazol-3-yl) formate
SMILESCC(=O)NC1(OC=O)CCc2[nH]c3ccccc3c2C1
InChIInChI=1S/C15H16N2O3/c1-10(19)17-15(20-9-18)7-6-14-12(8-15)11-4-2-3-5-13(11)16-14/h2-5,9,16H,6-8H2,1H3,(H,17,19)
InChIKeyODHSALAKABTSEC-UHFFFAOYSA-N
XLogP1.66
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2,4,9-tetrahydrocarbazol-3-yl] formate
CID 90925574
(3-amino-1,2,4,9-tetrahydrocarbazol-3-yl) formate
CID 91339726
(3-methyl-1,2,4,9-tetrahydrocarbazol-3-yl)methanol
CID 71051189
N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)acetamide
CID 20529236
3-[[2-(3-methoxyphenyl)acetyl]amino]-1,2,4,9-tetrahydrocarbazole-3-carboxamide
CID 142668043
methyl 1,2,3,4-tetrahydrocyclopenta[b]indole-2-carboxylate
CID 102568781
methyl 2,3,4,9-tetrahydro-1H-carbazole-2-carboxylate
CID 12762686
methyl 1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate
CID 23883966
N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-3-[[2-(4-methoxyphenyl)acetyl]amino]-1,2,4,9-tetrahydrocarbazole-3-carboxamide
CID 10238825
3,3-dimethyl-1,2,4,9-tetrahydropyrido[3,4-b]indole
CID 84739726
ethane;2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 158166358
(3R)-N'-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carbohydrazide
CID 162349920

Frequently Asked Questions

What is the IUPAC name of (3-acetamido-1,2,4,9-tetrahydrocarbazol-3-yl) formate?
The IUPAC name of (3-acetamido-1,2,4,9-tetrahydrocarbazol-3-yl) formate (CID 91386996) is (3-acetamido-1,2,4,9-tetrahydrocarbazol-3-yl) formate.
What is the SMILES notation for (3-acetamido-1,2,4,9-tetrahydrocarbazol-3-yl) formate?
The canonical SMILES for (3-acetamido-1,2,4,9-tetrahydrocarbazol-3-yl) formate is CC(=O)NC1(OC=O)CCc2[nH]c3ccccc3c2C1.
What is the InChIKey of (3-acetamido-1,2,4,9-tetrahydrocarbazol-3-yl) formate?
The InChIKey is ODHSALAKABTSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-10(19)17-15(20-9-18)7-6-14-12(8-15)11-4-2-3-5-13(11)16-14/h2-5,9,16H,6-8H2,1H3,(H,17,19).
What are the key properties of (3-acetamido-1,2,4,9-tetrahydrocarbazol-3-yl) formate?
(3-acetamido-1,2,4,9-tetrahydrocarbazol-3-yl) formate has a molecular weight of 272.30 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-acetamido-1,2,4,9-tetrahydrocarbazol-3-yl) formate is sourced from PubChem (CID 91386996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).