3-pyrrolidin-1-yl-2H-1,4-benzoxazin-6-ol

C12H14N2O2 — CID 115030561

IUPAC3-pyrrolidin-1-yl-2H-1,4-benzoxazin-6-ol
SMILESOc1ccc2c(c1)N=C(N1CCCC1)CO2
InChIInChI=1S/C12H14N2O2/c15-9-3-4-11-10(7-9)13-12(8-16-11)14-5-1-2-6-14/h3-4,7,15H,1-2,5-6,8H2
InChIKeyYZFBPLYTVDEWMN-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.91
Rot. Bonds

About 3-pyrrolidin-1-yl-2H-1,4-benzoxazin-6-ol

3-pyrrolidin-1-yl-2H-1,4-benzoxazin-6-ol (PubChem CID 115030561) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-pyrrolidin-1-yl-2H-1,4-benzoxazin-6-ol.

Molecular Properties

Compound Name3-pyrrolidin-1-yl-2H-1,4-benzoxazin-6-ol
PubChem CID115030561
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name3-pyrrolidin-1-yl-2H-1,4-benzoxazin-6-ol
SMILESOc1ccc2c(c1)N=C(N1CCCC1)CO2
InChIInChI=1S/C12H14N2O2/c15-9-3-4-11-10(7-9)13-12(8-16-11)14-5-1-2-6-14/h3-4,7,15H,1-2,5-6,8H2
InChIKeyYZFBPLYTVDEWMN-UHFFFAOYSA-N
XLogP1.91
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2H-1,4-benzoxazin-6-ol
CID 15825740
2-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-2,3-dihydro-1,4-benzoxazin-6-ol
CID 18788343
N-[5-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-2-hydroxyphenyl]methanesulfonamide
CID 18789628
3-Diazo-4-(2,5-diethoxyphenyl)morpholine
CID 53682486
3-Diazo-4-(2,5-dibutoxyphenyl)morpholine
CID 54303007
3-morpholin-4-yl-2H-1,4-benzoxazin-7-amine
CID 12793557
3-pyrrolidin-1-yl-2H-1,4-benzoxazin-7-amine
CID 12793558
3-piperidin-1-yl-2H-1,4-benzoxazin-7-amine
CID 12793559
3-N,3-N-diethyl-2H-1,4-benzoxazine-3,7-diamine
CID 12793573
1-(2,5-Diethoxyphenyl)pyrrolidin-2-imine
CID 43121925
3-morpholin-4-yl-2H-1,4-benzoxazine
CID 54575020
2-ethyl-3-N,3-N-dipropyl-2H-1,4-benzoxazine-3,7-diamine
CID 82368152

Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-1-yl-2H-1,4-benzoxazin-6-ol?
The IUPAC name of 3-pyrrolidin-1-yl-2H-1,4-benzoxazin-6-ol (CID 115030561) is 3-pyrrolidin-1-yl-2H-1,4-benzoxazin-6-ol.
What is the SMILES notation for 3-pyrrolidin-1-yl-2H-1,4-benzoxazin-6-ol?
The canonical SMILES for 3-pyrrolidin-1-yl-2H-1,4-benzoxazin-6-ol is Oc1ccc2c(c1)N=C(N1CCCC1)CO2.
What is the InChIKey of 3-pyrrolidin-1-yl-2H-1,4-benzoxazin-6-ol?
The InChIKey is YZFBPLYTVDEWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c15-9-3-4-11-10(7-9)13-12(8-16-11)14-5-1-2-6-14/h3-4,7,15H,1-2,5-6,8H2.
What are the key properties of 3-pyrrolidin-1-yl-2H-1,4-benzoxazin-6-ol?
3-pyrrolidin-1-yl-2H-1,4-benzoxazin-6-ol has a molecular weight of 218.26 g/mol, XLogP of 1.91, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-1-yl-2H-1,4-benzoxazin-6-ol is sourced from PubChem (CID 115030561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).