carbonic acid;2-phenylethenamine

C9H11NO3 — CID 173134813

IUPACcarbonic acid;2-phenylethenamine
SMILESNC=Cc1ccccc1.O=C(O)O
InChIInChI=1S/C8H9N.CH2O3/c9-7-6-8-4-2-1-3-5-8;2-1(3)4/h1-7H,9H2;(H2,2,3,4)
InChIKeyFIIVROMBVPZGKK-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.84
Rot. Bonds1

About carbonic acid;2-phenylethenamine

carbonic acid;2-phenylethenamine (PubChem CID 173134813) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is carbonic acid;2-phenylethenamine.

Molecular Properties

Compound Namecarbonic acid;2-phenylethenamine
PubChem CID173134813
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Namecarbonic acid;2-phenylethenamine
SMILESNC=Cc1ccccc1.O=C(O)O
InChIInChI=1S/C8H9N.CH2O3/c9-7-6-8-4-2-1-3-5-8;2-1(3)4/h1-7H,9H2;(H2,2,3,4)
InChIKeyFIIVROMBVPZGKK-UHFFFAOYSA-N
XLogP1.84
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-2-phenylethenamine;silane
CID 173101301
2-phenylethenamine;hydrobromide
CID 175408568
acetic acid;stilbene
CID 172803728
(Z)-3-phenylprop-2-enoic acid
CID 5372954
(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one
CID 157206787
carbanide;bis((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);palladium(2+)
CID 161273372
3-phenylprop-2-enoic acid;hydrobromide
CID 172826551
(1Z,4Z)-1,5-diphenylpenta-1,4-dien-3-one;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;palladium
CID 154825040
azane;1,5-diphenylpenta-1,4-dien-3-one
CID 172776077
bis((E)-3-phenylprop-2-enoic acid);zinc
CID 11291345
1,5-diphenylpenta-1,4-dien-3-one;hydrochloride
CID 70139846
tris((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);bis(palladium)
CID 140752753

Frequently Asked Questions

What is the IUPAC name of carbonic acid;2-phenylethenamine?
The IUPAC name of carbonic acid;2-phenylethenamine (CID 173134813) is carbonic acid;2-phenylethenamine.
What is the SMILES notation for carbonic acid;2-phenylethenamine?
The canonical SMILES for carbonic acid;2-phenylethenamine is NC=Cc1ccccc1.O=C(O)O.
What is the InChIKey of carbonic acid;2-phenylethenamine?
The InChIKey is FIIVROMBVPZGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N.CH2O3/c9-7-6-8-4-2-1-3-5-8;2-1(3)4/h1-7H,9H2;(H2,2,3,4).
What are the key properties of carbonic acid;2-phenylethenamine?
carbonic acid;2-phenylethenamine has a molecular weight of 181.19 g/mol, XLogP of 1.84, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;2-phenylethenamine is sourced from PubChem (CID 173134813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).