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

C13H14N2O2 — CID 91339726

IUPAC(3-amino-1,2,4,9-tetrahydrocarbazol-3-yl) formate
SMILESNC1(OC=O)CCc2[nH]c3ccccc3c2C1
InChIInChI=1S/C13H14N2O2/c14-13(17-8-16)6-5-12-10(7-13)9-3-1-2-4-11(9)15-12/h1-4,8,15H,5-7,14H2
InChIKeyYUJNIJFVMLBCOM-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.48
Rot. Bonds2

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

(3-amino-1,2,4,9-tetrahydrocarbazol-3-yl) formate (PubChem CID 91339726) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is (3-amino-1,2,4,9-tetrahydrocarbazol-3-yl) formate.

Molecular Properties

Compound Name(3-amino-1,2,4,9-tetrahydrocarbazol-3-yl) formate
PubChem CID91339726
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name(3-amino-1,2,4,9-tetrahydrocarbazol-3-yl) formate
SMILESNC1(OC=O)CCc2[nH]c3ccccc3c2C1
InChIInChI=1S/C13H14N2O2/c14-13(17-8-16)6-5-12-10(7-13)9-3-1-2-4-11(9)15-12/h1-4,8,15H,5-7,14H2
InChIKeyYUJNIJFVMLBCOM-UHFFFAOYSA-N
XLogP1.48
TPSA68.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.48
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

(3-acetamido-1,2,4,9-tetrahydrocarbazol-3-yl) formate
CID 91386996
[(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2,4,9-tetrahydrocarbazol-3-yl] formate
CID 90925574
(3-methyl-1,2,4,9-tetrahydrocarbazol-3-yl)methanol
CID 71051189
molecular hydrogen;1,2,3,4-tetrahydrocyclopenta[b]indole
CID 162302713
3,3-dimethyl-1,2,4,9-tetrahydropyrido[3,4-b]indole
CID 84739726
(3S)-3-(3,4-dimethoxyphenyl)-1,2,4,9-tetrahydrocarbazole-3-carbonitrile
CID 749910
3-[[2-(3-methoxyphenyl)acetyl]amino]-1,2,4,9-tetrahydrocarbazole-3-carboxamide
CID 142668043
cyclopropanamine;1,2,3,4-tetrahydrocyclopenta[b]indole;hydrochloride
CID 67693209
2,3,4,5,6,11-hexahydro-1H-azocino[4,5-b]indole
CID 15192091
2-amino-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone
CID 60718919
6-methoxy-3,3-dimethyl-1,2,4,9-tetrahydrocarbazole
CID 65335451
1H-indole;2,3,4,9-tetrahydro-1H-carbazole
CID 161045949

Frequently Asked Questions

What is the IUPAC name of (3-amino-1,2,4,9-tetrahydrocarbazol-3-yl) formate?
The IUPAC name of (3-amino-1,2,4,9-tetrahydrocarbazol-3-yl) formate (CID 91339726) is (3-amino-1,2,4,9-tetrahydrocarbazol-3-yl) formate.
What is the SMILES notation for (3-amino-1,2,4,9-tetrahydrocarbazol-3-yl) formate?
The canonical SMILES for (3-amino-1,2,4,9-tetrahydrocarbazol-3-yl) formate is NC1(OC=O)CCc2[nH]c3ccccc3c2C1.
What is the InChIKey of (3-amino-1,2,4,9-tetrahydrocarbazol-3-yl) formate?
The InChIKey is YUJNIJFVMLBCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c14-13(17-8-16)6-5-12-10(7-13)9-3-1-2-4-11(9)15-12/h1-4,8,15H,5-7,14H2.
What are the key properties of (3-amino-1,2,4,9-tetrahydrocarbazol-3-yl) formate?
(3-amino-1,2,4,9-tetrahydrocarbazol-3-yl) formate has a molecular weight of 230.27 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-1,2,4,9-tetrahydrocarbazol-3-yl) formate is sourced from PubChem (CID 91339726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).