[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohept-3-en-1-yl]carbamic acid

C15H17N3O2 — CID 68553483

IUPAC[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohept-3-en-1-yl]carbamic acid
SMILESO=C(O)NC1CC=C(c2c[nH]c3cccnc23)CCC1
InChIInChI=1S/C15H17N3O2/c19-15(20)18-11-4-1-3-10(6-7-11)12-9-17-13-5-2-8-16-14(12)13/h2,5-6,8-9,11,17-18H,1,3-4,7H2,(H,19,20)
InChIKeyKNPZMYJRFYKSAZ-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.16
Rot. Bonds2

About [4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohept-3-en-1-yl]carbamic acid

[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohept-3-en-1-yl]carbamic acid (PubChem CID 68553483) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is [4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohept-3-en-1-yl]carbamic acid.

Molecular Properties

Compound Name[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohept-3-en-1-yl]carbamic acid
PubChem CID68553483
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohept-3-en-1-yl]carbamic acid
SMILESO=C(O)NC1CC=C(c2c[nH]c3cccnc23)CCC1
InChIInChI=1S/C15H17N3O2/c19-15(20)18-11-4-1-3-10(6-7-11)12-9-17-13-5-2-8-16-14(12)13/h2,5-6,8-9,11,17-18H,1,3-4,7H2,(H,19,20)
InChIKeyKNPZMYJRFYKSAZ-UHFFFAOYSA-N
XLogP3.16
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohept-3-en-1-yl]carbamic acid?
The IUPAC name of [4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohept-3-en-1-yl]carbamic acid (CID 68553483) is [4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohept-3-en-1-yl]carbamic acid.
What is the SMILES notation for [4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohept-3-en-1-yl]carbamic acid?
The canonical SMILES for [4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohept-3-en-1-yl]carbamic acid is O=C(O)NC1CC=C(c2c[nH]c3cccnc23)CCC1.
What is the InChIKey of [4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohept-3-en-1-yl]carbamic acid?
The InChIKey is KNPZMYJRFYKSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c19-15(20)18-11-4-1-3-10(6-7-11)12-9-17-13-5-2-8-16-14(12)13/h2,5-6,8-9,11,17-18H,1,3-4,7H2,(H,19,20).
What are the key properties of [4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohept-3-en-1-yl]carbamic acid?
[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohept-3-en-1-yl]carbamic acid has a molecular weight of 271.32 g/mol, XLogP of 3.16, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-pyrrolo[3,2-b]pyridin-3-yl)cyclohept-3-en-1-yl]carbamic acid is sourced from PubChem (CID 68553483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).