4-(5H-pyrido[4,3-b]indol-7-yl)but-1-en-2-ol

C15H14N2O — CID 142517237

IUPAC4-(5H-pyrido[4,3-b]indol-7-yl)but-1-en-2-ol
SMILESC=C(O)CCc1ccc2c(c1)[nH]c1ccncc12
InChIInChI=1S/C15H14N2O/c1-10(18)2-3-11-4-5-12-13-9-16-7-6-14(13)17-15(12)8-11/h4-9,17-18H,1-3H2
InChIKeyKDJOBJZEKNJSQJ-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.72
Rot. Bonds3

About 4-(5H-pyrido[4,3-b]indol-7-yl)but-1-en-2-ol

4-(5H-pyrido[4,3-b]indol-7-yl)but-1-en-2-ol (PubChem CID 142517237) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-(5H-pyrido[4,3-b]indol-7-yl)but-1-en-2-ol.

Molecular Properties

Compound Name4-(5H-pyrido[4,3-b]indol-7-yl)but-1-en-2-ol
PubChem CID142517237
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name4-(5H-pyrido[4,3-b]indol-7-yl)but-1-en-2-ol
SMILESC=C(O)CCc1ccc2c(c1)[nH]c1ccncc12
InChIInChI=1S/C15H14N2O/c1-10(18)2-3-11-4-5-12-13-9-16-7-6-14(13)17-15(12)8-11/h4-9,17-18H,1-3H2
InChIKeyKDJOBJZEKNJSQJ-UHFFFAOYSA-N
XLogP3.72
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1-piperidin-1-yl-3-(5H-pyrido[4,3-b]indol-7-yl)propan-1-one
CID 155584935
N-methyl-1-(5H-pyrido[4,3-b]indol-7-yl)methanamine
CID 116986026
methyl 3-(5H-pyrido[4,3-b]indol-8-yl)propanoate
CID 116985874
5-methyl-1-(5H-pyrido[4,3-b]indol-7-yl)hexan-3-one;N-propan-2-yl-5-(5H-pyrido[4,3-b]indol-7-yl)pyridin-2-amine
CID 159170495
6,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 148886770
2-[7-(2-hydroxyethyl)-9H-carbazol-2-yl]ethanol
CID 67360001
3-methyl-2-(5H-pyrido[4,3-b]indol-7-yl)butan-1-ol
CID 116986132
2-(5H-pyrido[4,3-b]indol-7-ylmethyl)morpholine
CID 116986104
N-(5H-pyrido[4,3-b]indol-8-ylmethyl)ethanamine
CID 116985827
1-(5H-pyrido[4,3-b]indol-8-yl)propan-2-one
CID 116985878
ethane;5H-pyrido[4,3-b]indole
CID 176987523
7-(6-tert-butyl-3-pyridinyl)-5H-pyrido[4,3-b]indole
CID 134488720

Frequently Asked Questions

What is the IUPAC name of 4-(5H-pyrido[4,3-b]indol-7-yl)but-1-en-2-ol?
The IUPAC name of 4-(5H-pyrido[4,3-b]indol-7-yl)but-1-en-2-ol (CID 142517237) is 4-(5H-pyrido[4,3-b]indol-7-yl)but-1-en-2-ol.
What is the SMILES notation for 4-(5H-pyrido[4,3-b]indol-7-yl)but-1-en-2-ol?
The canonical SMILES for 4-(5H-pyrido[4,3-b]indol-7-yl)but-1-en-2-ol is C=C(O)CCc1ccc2c(c1)[nH]c1ccncc12.
What is the InChIKey of 4-(5H-pyrido[4,3-b]indol-7-yl)but-1-en-2-ol?
The InChIKey is KDJOBJZEKNJSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-10(18)2-3-11-4-5-12-13-9-16-7-6-14(13)17-15(12)8-11/h4-9,17-18H,1-3H2.
What are the key properties of 4-(5H-pyrido[4,3-b]indol-7-yl)but-1-en-2-ol?
4-(5H-pyrido[4,3-b]indol-7-yl)but-1-en-2-ol has a molecular weight of 238.29 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5H-pyrido[4,3-b]indol-7-yl)but-1-en-2-ol is sourced from PubChem (CID 142517237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).